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

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.

Automated summary

This article presents a method for routine crystal structure determination using powder X-ray diffraction data from a laboratory-based single-crystal diffractometer on very small amounts of crystalline material (typically 0.1 mg or less). The method has successfully solved structures of various levels of molecular and crystallographic complexity.