Number of items: 73.
2024
Hibbard, T., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Al-Obaidi, H.
ORCID: https://orcid.org/0000-0001-9735-0303
(2024)
Preparation and formulation of progesterone para-aminobenzoic acid co-crystals with improved dissolution and stability.
European Journal of Pharmaceutics and Biopharmaceutics, 196.
114202.
ISSN 0939-6411
doi: https://doi.org/10.1016/j.ejpb.2024.114202
2023
Hibbard, T., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Al-Obaidi, H.
ORCID: https://orcid.org/0000-0001-9735-0303
(2023)
Evaluation of two and three fluid nozzle spray drying to prepare co-crystals of salicylic acid and caffeine with improved physicochemical propertiess.
Journal of Drug Delivery Science and Technology, 89.
105073.
ISSN 1773-2247
doi: https://doi.org/10.1016/j.jddst.2023.105073
Lin, Q., Lan, H., Ma, C., Stendall, R. T., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Musgrave, R. A., Horton, P. N., Baldaug, C., Hofmann, H.-J., Butts, C. P., Müller, M. M. and Cobb, A. J. A.
(2023)
Crystal structure and NMR of an α,δ‐peptide foldamer helix shows side-chains are well placed for bifunctional catalysis : application as a minimalist aldolase mimic.
Angewandte Chemie International Edition, 62 (36).
e202305326.
ISSN 1433-7851
doi: https://doi.org/10.1002/anie.202305326
Hibbard, T., Mitchell, H., Kim, Y., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Al-Obaidi, H.
ORCID: https://orcid.org/0000-0001-9735-0303
(2023)
Spray dried progesterone formulations for carrier free dry powder inhalation.
European Journal of Pharmaceutics and Biopharmaceutics, 189.
pp. 264-275.
ISSN 0939-6411
doi: https://doi.org/10.1016/j.ejpb.2023.06.018
Hibbard, T., Nyambura, B., Scholes, P., Totolici, M., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Al-Obaidi, H.
ORCID: https://orcid.org/0000-0001-9735-0303
(2023)
Preparation and physiochemical analysis of novel ciprofloxacin / dicarboxylic acid salts.
Journal of Pharmaceutical Sciences, 112 (1).
pp. 195-203.
ISSN 0022-3549
doi: https://doi.org/10.1016/j.xphs.2022.08.008
2022
Alvarez-Dorta, D., Leon, E. I., Martin, A., Kennedy, A. R., Perez-Martin, I., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Suarez, E.
(2022)
Regio- and stereoselectivity of the Norrish−Yang photocyclization of Dialkyl 1,2-Diketones: solution versus solid state photochemistry of two polymorphS.
Journal of Organic Chemistry, 87 (21).
pp. 14940-14947.
ISSN 0022-3263
doi: https://doi.org/10.1021/acs.joc.2c01855
Spillman, M. J., Shankland, N. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2022)
An efficient treatment of ring conformations during molecular crystal structure determination from powder diffraction data.
CrystEngComm, 24 (25).
pp. 4551-4555.
ISSN 1466-8033
doi: https://doi.org/10.1039/D2CE00520D
Kabova, E. A., Blundell, C. D., Muryn, C. A., Whitehead, G. F. S., Vitorica-Yrezabal, I. J., Ross, M. J. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2022)
SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery.
CrystEngComm, 24 (24).
pp. 4337-4340.
ISSN 1466-8033
doi: https://doi.org/10.1039/D2CE00387B
2021
Spillman, M. J. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2021)
GALLOP: accelerated molecular crystal structure determination from powder diffraction data.
CrystEngComm.
ISSN 1466-8033
doi: https://doi.org/10.1039/D1CE00978H
Bryant, L. A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Straker, H. E., Johnston, C. D., Lees, N. R. and Cobb, A. J.A.
(2021)
Enantioselective organocatalytic synthesis of bicyclic resorcinols via an intramolecular Friedel-Crafts-type 1,4-addition: access to cannabidiol analogues.
Advanced Synthesis and Catalysis, 363 (16).
pp. 4067-4074.
ISSN 1615-4169
doi: https://doi.org/10.1002/adsc.202100647
Beamish-Cook, J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Murray, C. A. and Vaqueiro, P.
ORCID: https://orcid.org/0000-0001-7545-6262
(2021)
Insights into the mechanochemical synthesis of MOF-74.
Crystal Growth & Design, 21 (5).
pp. 3047-3055.
ISSN 1528-7483
doi: https://doi.org/10.1021/acs.cgd.1c00213
Parker, S. F., Funnell, N. P., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Kabova, E. A., Häußner, T., Hasselback, H.-J., Braune, S., Kobler, C. and Albers, P. W.
(2021)
Structure and spectroscopy of methionyl-methionine for aquaculture.
Scientific Reports, 11.
458.
ISSN 2045-2322
doi: https://doi.org/10.1038/s41598-020-80385-z
2020
Townsend, D., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Weymouth-Wilson, A., Komsta, Z., Evans, T. and Cobb, A. J. A.
(2020)
Synthesis of an intriguing steroidal constitutional isomer.
Tetrahedron Letters, 61 (23).
151942.
ISSN 0040-4039
doi: https://doi.org/10.1016/j.tetlet.2020.151942
Townsend, D., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Weymouth-Wilson, A., Komsta, Z., Evans, T. and Cobb, A.
(2020)
Highly enantioselective, organocatalytic and scalable synthesis of a rare cis-cis-tricyclic diterpenoid.
Chemistry- A European Journal, 26 (16).
pp. 3504-3508.
ISSN 1521-3765
doi: https://doi.org/10.1002/chem.202000164
Fanelli, R., Berta, D., Foldes, T., Rosta, E., Atkinson, R. A., Hofmann, H.-J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Cobb, A.
(2020)
Organocatalytic access to a
cis-Cyclopentyl-gamma-amino acid: an intriguing
model of selectivity and formation of a stable
10/12-helix from the corresponding
gamma/alpha-peptide.
Journal of the American Chemical Society, 142 (3).
pp. 1382-1393.
ISSN 1520-5126
doi: https://doi.org/10.1021/jacs.9b10861
Al Rahal, O., Majumder, M., Spillman, M. J., van de Streek, J. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2020)
Co-crystal structures of furosemide:urea and carbamazepine:indomethacin determined from powder x-ray diffraction data.
Crystals, 10 (1).
e42.
ISSN 2073-4352
doi: https://doi.org/10.3390/cryst10010042
2019
Schweicher, G., D'Avino, G., Ruggiero, M. T., Harkin, D. J., Broch, K., Venkateshvaran, D., Liu, G., Richard, A., Ruzié, C., Armstrong, J., Kennedy, A. R., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Takimiya, K., Geerts, Y. H., Zeitler, J. A., Fratini, S. and Sirringhaus, H.
(2019)
Chasing the ‘killer’ phonon mode for the rational design of low disorder, high mobility molecular semiconductors.
Advanced Materials, 31 (43).
1902407.
ISSN 0935-9648
doi: https://doi.org/10.1002/adma.201902407
Salimi, S., Hart, L. R., Feula, A., Hermida-Merino, D., Touré, A. B. R., Kabova, E. A., Ruiz-Cantu, L., Irvine, D. J., Wildman, R., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Hayes, W.
ORCID: https://orcid.org/0000-0003-0047-2991
(2019)
Property enhancement of healable supramolecular polyurethanes.
European Polymer Journal, 118.
pp. 88-96.
ISSN 0014-3057
doi: https://doi.org/10.1016/j.eurpolymj.2019.05.042
Nicholls, D., Elleman, C., Shankland, N. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2019)
A new crystalline form of αβ-D-lactose prepared by oven drying a concentrated aqueous solution of D-lactose.
Acta Crystallographica Section C - Crystal Structure Communications, 75 (7).
pp. 904-909.
ISSN 1600-5759
doi: https://doi.org/10.1107/S2053229619008210
2018
Cobb, A. J. A., Dell’Isola, A., Abdulsattar, B. O., McLachlan, M. M. W., Neuman, B. W., Müller, C., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Al-Mulla, H. M. N., Binks, A. W. D. and Elvidge, W.
(2018)
Synthesis and antiviral activity of novel spirocyclic nucleosides.
New Journal of Chemistry, 42 (22).
pp. 18363-18380.
ISSN 1144-0546
doi: https://doi.org/10.1039/c8nj02777c
Gadd, A. J. R., Castelletto, V., Kabova, E., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Perrie, Y., Hamley, I.
ORCID: https://orcid.org/0000-0002-4549-0926, Cobb, A. J. A., Greco, F. and Edwards, A. D.
ORCID: https://orcid.org/0000-0003-2369-989X
(2018)
High potency of lipid conjugated TLR7 agonist requires nanoparticulate or liposomal formulation.
European Journal of Pharmaceutical Sciences, 123.
pp. 268-276.
ISSN 0928-0987
doi: https://doi.org/10.1016/j.ejps.2018.07.048
Nicholls, D., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Spillman, M. and Elleman, C.
(2018)
Rietveld-based quantitative phase analysis of sugars in confectionery.
Food Analytical Methods, 11 (10).
pp. 2673-2681.
ISSN 1936-976X
doi: https://doi.org/10.1007/s12161-018-1243-9
Kabova, E. A., Blundell, C. D. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2018)
Pushing the limits of molecular crystal structure determination from powder diffraction data in high-throughput chemical environments.
Journal of Pharmaceutical Sciences, 107 (8).
pp. 2042-2047.
ISSN 0022-3549
doi: https://doi.org/10.1016/j.xphs.2018.04.010
Nillson Lill, S. O., Widdifield, C. M., Pettersen, A., Ankarberg, A. S., Lindkvist, M., Aldred, P., Gracin, S., Shankland, N., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Schantz, S. and Emsley, L.
(2018)
Elucidating an amorphous form stabilization mechanism of tenapanor hydrochloride: crystal structure analysis using Xray diffraction, NMR crystallography and molecular modelling.
Molecular Pharmaceutics, 15 (4).
pp. 1476-1487.
ISSN 1543-8392
doi: https://doi.org/10.1021/acs.molpharmaceut.7b01047
Parker, J. K.
ORCID: https://orcid.org/0000-0003-4121-5481, Lignou, S.
ORCID: https://orcid.org/0000-0001-6971-2258, Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Kurwie, P., Griffiths, H. D. and Baines, D. A.
(2018)
Development of a technology for reducing polycyclic aromatic hydrocarbons in smoked food and smoked ingredients.
Journal of Agricultural and Food Chemistry, 66 (10).
pp. 2449-2458.
ISSN 0021-8561
doi: https://doi.org/10.1021/acs.jafc.6b05399
2017
Kabova, E. A., Cole, J. C., Korb, O., Williams, A. C.
ORCID: https://orcid.org/0000-0003-3654-7916 and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2017)
Improved crystal structure solution from powder diffraction data by the use of conformational information.
Journal of Applied Crystallography, 50.
pp. 1421-1427.
ISSN 0021-8898
doi: https://doi.org/10.1107/S1600576717012596
Kabova, E. A., Cole, J. C., Korb, O., López-Ibáñez, M., Williams, A.
ORCID: https://orcid.org/0000-0003-3654-7916 and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2017)
Improved performance of crystal structure solution from powder diffraction data through parameter tuning of a simulated annealing algorithm.
Journal of Applied Crystallography, 50.
pp. 1411-1420.
ISSN 0021-8898
doi: https://doi.org/10.1107/S1600576717012602
Ravishankar, D., Salamah, M., Attina, A., Pothi, R., Vallance, T. M., Javed, M., Williams, H. F., Alzahrani, E. M. S., Kabova, E., Vaiyapuri, R., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Gibbins, J.
ORCID: https://orcid.org/0000-0002-0372-5352, Strohfeldt, K., Greco, F., Osborn, H. M. I.
ORCID: https://orcid.org/0000-0002-0683-0457 and Vaiyapuri, S.
ORCID: https://orcid.org/0000-0002-6006-6517
(2017)
Ruthenium-conjugated chrysin analogues modulate platelet activity, thrombus formation and haemostasis with enhanced efficacy.
Scientific Reports, 7.
5738.
ISSN 2045-2322
doi: https://doi.org/10.1038/s41598-017-05936-3
2016
Al-Ani, W., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Cobb, A. J. A.
(2016)
Asymmetric organocatalytic synthesis of cyclopentane γ-nitroketones.
Synlett, 27 (1).
pp. 17-20.
ISSN 0936-5214
doi: https://doi.org/10.1055/s-0035-1560504
2015
Spillman, M. J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Williams, A. C.
ORCID: https://orcid.org/0000-0003-3654-7916 and Cole, J. C.
(2015)
CDASH: a cloud-enabled program for structure solution from powder diffraction data.
Journal of Applied Crystallography, 48 (6).
pp. 2033-2039.
ISSN 0021-8898
doi: https://doi.org/10.1107/S160057671502049X
Aitken, L. S., Hammond, L. E., Sundaram, R., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Brown, G. D. and Cobb, A. J. A.
(2015)
Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to d3-amino acids.
Chemical Communications, 51 (70).
pp. 13558-13561.
ISSN 1359-7345
doi: https://doi.org/10.1039/c5cc05158d
Warzecha, M., Calvo-Castro, J., Kennedy, A. R., Macpherson, A. N., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Shankland, N., McLean, A. J. and McHugh, C. J.
(2015)
Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency.
Chemical Communications, 51 (6).
pp. 1143-1146.
ISSN 1359-7345
doi: https://doi.org/10.1039/c4cc08468c
2014
Dell'Isola, A., McLachlan, M. M. W., Neuman, B. W., Al-Mullah, H. M. N., Binks, A. W. D., Elvidge, W., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Cobb, A. J. A.
(2014)
Synthesis and antiviral properties of spirocyclic [1,2,3]-triazolooxazine nucleosides.
Chemistry- A European Journal, 20 (37).
pp. 11685-11689.
ISSN 0947-6539
doi: https://doi.org/10.1002/chem.201403560
Arlin, J.-B., Bhardwaj, R. M., Johnston, A., Miller, G. J., Bardin, J., MacDougall, F., Fernandes, P., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, David, W. I. F. and Florence, A. J.
(2014)
Structure and stability of two polymorphs of creatine and its monohydrate.
Crystengcomm, 16 (35).
pp. 8197-8204.
ISSN 1466-8033
doi: https://doi.org/10.1039/c4ce00508b
Mazzeo, P. P., Maini, L., Petrolati, A., Fattori, V., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Braga, D.
(2014)
Phosphorescence quantum yield enhanced by intermolecular hydrogen bonds in Cu4I4 clusters in the solid state.
Dalton Transactions, 43 (25).
pp. 9448-9455.
ISSN 1364-5447
doi: https://doi.org/10.1039/c4dt00218k
2013
Buist, A.R., Kennedy, A.R., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Shankland, N. and Spillman, M.
(2013)
Salt forms of Amides: protonation and polymorphism of
Carbamazepine and Cytenamide.
Crystal Growth & Design, 13 (11).
pp. 5121-5127.
ISSN 1528-7483
doi: https://doi.org/10.1021/cg401341y
Majumder, M., Buckton, G., Rawlinson, C. F., Williams, A. C.
ORCID: https://orcid.org/0000-0003-3654-7916, Spillman, M. J., Pidcok, E. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2013)
Application of hydrogen-bond propensity calculations
to an indomethacin–nicotinamide (1:1) co-crystal.
CrystEngComm, 15.
pp. 4041-4044.
ISSN 1466-8033
doi: https://doi.org/10.1039/c3ce40367j
Rajkumar, S., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Goodman, J. M. and Cobb, A. J.A.
(2013)
Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers.
Organic Letters, 15 (6).
pp. 1386-1389.
ISSN 1523-7060
doi: https://doi.org/10.1021/ol400356k
Smart, P., Mason, C. A., Loader, J. R., Meijer, A. J. H. M., Florence, A. J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Fletcher, A. J., Thompson, S. P., Brunelli, M., Hill, A. H. and Brammer, L.
(2013)
Zipping and unzipping of a paddlewheel metal-organic framework to enable two-step synthetic and structural transformation.
Chemistry- A European Journal, 19 (11).
pp. 3552-3557.
ISSN 1521-3765
doi: https://doi.org/10.1002/chem.201204492
Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Spillman, M. J., Kabova, E. A., Edgeley, D. S. and Shankland, N.
(2013)
The principles underlying the use of powder diffraction data in solving pharmaceutical crystal structures.
Acta Crystallographica Section C - Crystal Structure Communications, 69 (11).
pp. 1251-1259.
ISSN 1600-5759
doi: https://doi.org/10.1107/S0108270113028643
2012
Rajkumar, S., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Brown, G. D. and Cobb, A.
(2012)
Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction.
Chemical Science, 3.
pp. 584-588.
ISSN 1478-6524
doi: https://doi.org/10.1039/C1SC00592H
Arlin, J.-B., Kennedy, A. R. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2012)
Magnesium, calcium and strontium salts of phenylacetic acid.
Acta Crystallographica Section C Crystal Structure Communications, 68.
M29-M33.
ISSN 0108-2701
doi: https://doi.org/10.1107/S0108270111055284
2011
Majumder, M., Buckton, G., Rawlinson-Malone, C., Williams, A. C.
ORCID: https://orcid.org/0000-0003-3654-7916, Spillman, M. J., Shankland, N. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2011)
A carbamazepine-indomethacin (1 : 1) cocrystal produced by milling.
Crystengcomm, 13 (21).
pp. 6327-6328.
ISSN 1466-8033
doi: https://doi.org/10.1039/c1ce05650f
Thomas, L. H., Craig, G. A., Gutmann, M. J., Parkin, A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Wilson, C. C.
(2011)
Conformational polymorphism of the molecular complex of 3-fluorobenzoic acid with 4-acetylpyridine.
CrystEngComm, 13 (10).
pp. 3349-3354.
ISSN 1466-8033
doi: https://doi.org/10.1039/c1ce05139c
Majumder, M., Buckton, G., Rawlinson-Malone, C., Williams, A.
ORCID: https://orcid.org/0000-0003-3654-7916, Spillman, M., Shankland, N. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2011)
A carbamazepine-indomethacin (1:1) cocrystal produced by milling.
Crystengcomm, 13 (21).
pp. 6327-6328.
ISSN 1466-8033
doi: https://doi.org/10.1039/c1ce05650f
2010
Nodes, W. J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Rajkumar, S. and Cobb, A. J. A.
(2010)
Asymmetric phase-transfer-catalyzed synthesis of five-membered cyclic gamma-Amino acid precursors.
Synlett, 2010 (20).
pp. 3011-3014.
ISSN 1437-2096
doi: https://doi.org/10.1055/s-0030-1259050
Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Markvardsen, A. J., Rowlatt, C., Shankland, N. and David, W. I. F.
(2010)
A benchmark method for global optimization problems in structure determination from powder diffraction data.
Journal of Applied Crystallography, 43 (3).
pp. 401-406.
ISSN 0021-8898
doi: https://doi.org/10.1107/S0021889810008113
Billinge, S., Dykhne, T., Juhas, P., Bozin, E., Taylor, R., Florence, A. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2010)
Characterisation of amorphous and nanocrystalline molecular materials by total scattering.
Crystengcomm, 12 (5).
pp. 1366-1368.
ISSN 1466-8033
doi: https://doi.org/10.1039/b915453a
Oswald, I. D. H., Lennie, A. R., Pulham, C. R. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2010)
High-pressure structural studies of the pharmaceutical, chlorothiazide.
Crystengcomm, 12 (9).
pp. 2533-2540.
ISSN 1466-8033
doi: https://doi.org/10.1039/c001355b
Markvardsen, A. J., Puphaiboon, K., Arjeneh, M., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Guest, H. L., Griffin, T. A. N., Badham, D. R. and Flannery, D. W.
(2010)
Jpowder: a Java-based program for the display and
examination of powder diffraction data.
Journal of Applied Crystallography, 43 (6).
pp. 1532-1534.
ISSN 1600-5767
doi: https://doi.org/10.1107/S0021889810041543
Minguez Espallargas, G., van de Streek, J., Fernandes, P., Florence, A. J., Brunelli, M., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Brammer, L.
(2010)
Mechanistic insights into a gas–solid reaction in molecular crystals: the role of hydrogen bonding.
Angewandte Chemie International Edition, 49 (47).
pp. 8892-8896.
ISSN 1433-7851
doi: https://doi.org/10.1002/anie.201003265
2009
Parker, S. F., Refson, K., Tavender, S. M., Albers, P., Hannebauer, B., Janik, M., Muller, A., Martens, J., Watzke, M., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Leech, C. and Offermanns, H.
(2009)
Vibrational spectroscopy of a compound with a CS7 ring.
Journal of Raman Spectroscopy, 40 (6).
pp. 703-708.
ISSN 0377-0486
doi: https://doi.org/10.1002/jrs.2270
Griffin, T. A. N., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, van de Streek, J. V. and Cole, J.
(2009)
GDASH: a grid-enabled program for structure solution from powder diffraction data.
Journal of Applied Crystallography, 42 (2).
pp. 356-359.
ISSN 0021-8898
doi: https://doi.org/10.1107/S0021889809006840
Martins, D. M. S., Middlemiss, D. S., Pulham, C. R., Wilson, C. C., Weller, M. T., Henry, P. F., Shankland, N., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Marshall, W. G., Ibberson, R. M., Knight, K., Moggach, S., Brunelli, M. and Morrison, C. A.
(2009)
Temperature- and Pressure-induced Proton Transfer in the 1:1 Adduct Formed between Squaric Acid and 4,4 '-Bipyridine.
Journal of the American Chemical Society, 131 (11).
pp. 3884-3893.
ISSN 0002-7863
doi: https://doi.org/10.1021/ja8082973
Griffin, T. A. N., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, van de Streek, J. V. and Cole, J.
(2009)
MDASH: a multi-core-enabled program for structure solution from powder diffraction data.
Journal of Applied Crystallography, 42 (2).
pp. 360-361.
ISSN 0021-8898
doi: https://doi.org/10.1107/S0021889809006852
Espallargas, G. M., Zordan, F., Marin, L. A., Adams, H., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, van de Streek, J. and Brammer, L.
(2009)
Rational modification of the hierarchy of intermolecular interactions in molecular crystal structures by using tunable halogen bonds.
Chemistry - A European Journal, 15 (31).
pp. 7554-7568.
ISSN 0947-6539
doi: https://doi.org/10.1002/chem.200900410
2008
Johnston, A., Florence, A. J., Fabianni, F. J. A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Bedford, C. T. and Bardin, J.
(2008)
Cytenamide trifluoroacetic acid solvate.
Acta Crystallographica Section E: Structure Reports Online, 64 (7).
o1215-o1216.
ISSN 1600-5368
doi: https://doi.org/10.1107/S1600536808016577
Johnston, A., Florence, A. J., Fabbiani, F. J. A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Bedford, C. T.
(2008)
Cytenamide-1,4-dioxane (2/1).
Acta Crystallographica Section E: Structure Reports Online, 64 (7).
o1345-o1346.
ISSN 1600-5368
doi: https://doi.org/10.1107/S1600536808018709
Johnston, A., Florence, A. J., Fabbiani, F. J. A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Bedford, C. T.
(2008)
Cytenamide-butyric acid (1/1).
Acta Crystallographica Section E: Structure Reports Online, 64 (7).
o1295-o1296.
ISSN 1600-5368
doi: https://doi.org/10.1107/S1600536808018059
Johnston, A., Florence, A. J., Fabianni, F. J. A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Bedford, C. T.
(2008)
Cytenamide acetic acid solvate.
Acta Crystallographica Section E: Structure Reports Online, 64 (6).
o1175.
ISSN 1600-5368
doi: https://doi.org/10.1107/S160053680801550X
Fernandes, P., Florence, A. J., Fabbiani, F., David, W. I. F. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2008)
Urea-N,N-dimethylacetamide (1/1).
Acta Crystallographica Section E: Structure Reports Online, 64 (2).
o355.
ISSN 1600-5368
doi: https://doi.org/10.1107/S1600536807067232
David, W. I. F. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2008)
Structure determination from powder diffraction data.
Acta Crystallographica Section A, 64 (1).
pp. 52-64.
ISSN 0108-7673
doi: https://doi.org/10.1107/S0108767307064252
Leech, C.K., Fabbiani, F.P.A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, David, W.I.F. and Ibberson, R.M.
(2008)
Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data.
Acta Crystallographica Section B, 64 (1).
pp. 101-107.
ISSN 0108-7681
doi: https://doi.org/10.1107/S010876810705687X
Mohamed, S., Barnett, S.A., Tocher, D.A., Price, S.L., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155 and Leech, C.K.
(2008)
Discovery of three polymorphs of 7-fluoroisatin reveals challenges in using computational crystal structure prediction as a complement to experimental screening.
Crystengcomm, 10 (4).
pp. 399-404.
ISSN 1466-8033
doi: https://doi.org/10.1039/b714566g
Markvardsen, A.J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, David, W.I.F., Johnston, J.C., Ibberson, R.M., Tucker, M., Nowell, H. and Griffin, T.
(2008)
ExtSym: a program to aid space-group determination from powder diffraction data.
Journal of Applied Crystallography, 41 (6).
pp. 1177-1181.
ISSN 0021-8898
doi: https://doi.org/10.1107/S0021889808031087
Torrisi, A., Leech, C.K., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, David, W.I.F., Ibberson, R.M., Benet-Buchholz, J., Boese, R., Leslie, M., Catlow, C.R.A. and Price, S.L.
(2008)
Solid phases of cyclopentane: combined experimental and simulation study.
Journal of Physical Chemistry, 112 (12).
pp. 3746-3758.
ISSN 1520-6106
doi: https://doi.org/10.1021/jp710017y
David, W.I.F. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2008)
Structure determination from powder diffraction data.
Acta Crystallographica Section A, 64 (1).
pp. 52-64.
ISSN 0108-7673
doi: https://doi.org/10.1107/S0108767307064252
Moreno-Fuquen, R., Valderrama-N, J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Fabbiani, F.P.A. and Markvardsen, A.J.
(2008)
Three-centre hydrogen bonds in triphenylphosphine oxide-hydroquinone (1/1).
Acta Crystallographica Section E, 64 (2).
O367-U1679.
ISSN 1600-5368
doi: https://doi.org/10.1107/S1600536807067414
Florence, A.J., Bedford, C.T., Fabbiani, F.P.A., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Gelbrich, T., Hursthouse, M.B., Shankland, N., Johnston, A. and Fernandes, P.
(2008)
Two-dimensional similarity between forms I and II of cytenamide, a carbamazepine analogue.
Crystengcomm, 10 (7).
pp. 811-813.
ISSN 1466-8033
doi: https://doi.org/10.1039/b719717a
Florence, A.J., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, Gelbrich, T., Hursthouse, M.B., Shankland, N., Johnston, A., Fernandes, P. and Leech, C.K.
(2008)
A catemer-to-dimer structural transformation in cyheptamide.
Crystengcomm, 10 (1).
pp. 26-28.
ISSN 1466-8033
doi: https://doi.org/10.1039/b712547j
Janbon, S., Davey, R.J. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2008)
The crystal structure of a metastable polymorph of para-azoxyanisole.
Crystengcomm, 10 (3).
pp. 279-282.
ISSN 1466-8033
doi: https://doi.org/10.1039/b715934j
Fernandes, P., Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155, David, W.I.F., Markvardsen, A.J., Florence, A.J., Shankland, N. and Leech, C.K.
(2008)
A differential thermal expansion approach to crystal structure determination from powder diffraction data.
Journal of Applied Crystallography, 41 (6).
pp. 1089-1094.
ISSN 0021-8898
doi: https://doi.org/10.1107/S0021889808030872
2007
Fernandes, P., Bardin, J., Johnston, A., Florence, A. J., Leech, C. K., David, W. I. F. and Shankland, K.
ORCID: https://orcid.org/0000-0001-6566-0155
(2007)
Carbamazepine trifluoroacetic acid solvate.
Acta Crystallographica Section E: Structure Reports Online, 63 (11).
o4269.
ISSN 1600-5368
doi: https://doi.org/10.1107/S1600536807045333
This list was generated on Sat Aug 31 13:03:53 2024 UTC.