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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Abstract

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.

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Kabova, E. A., Blundell, C. D., Muryn, C. A., Whitehead, G. F. S., Vitorica-Yrezabal, I. J., Ross, M. J., & Shankland, K. (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), 4337–4340. https://doi.org/10.1039/d2ce00387b

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