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SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery

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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

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To link to this item DOI: 10.1039/D2CE00387B

Abstract/Summary

We report a method for routine crystal structure determination on very small (typically 0.1 mg or less) amounts of crystalline material using powder X-ray diffraction data from a laboratory-based single-crystal diffractometer. The solved structures span a wide range of molecular and crystallographic complexity.

Item Type:Article
Refereed:Yes
Divisions:Interdisciplinary centres and themes > Chemical Analysis Facility (CAF) > Xray (CAF)
Life Sciences > School of Chemistry, Food and Pharmacy > School of Pharmacy > Pharmaceutics Research Group
ID Code:105423
Publisher:Royal Society of Chemistry
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