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. 2022 Mar 9;58(30):4711–4714. doi: 10.1039/d2cc00221c

Comparison between diffraction-based methods to assign the absolute configuration of chiral APIs.

Technique scXRD PXRD Rietveld refinement MicroED kinematical refinement MicroED dynamical refinement
Sample requirement – Large single crystal – Crystalline powder with internal reference – Crystalline powder with internal reference – Crystalline powder
Advantage – Reliability of results – Reliability of results – Minimal sample preparation
– Straightforward data processing
Challenges – Crystal growth – Difficulty in solving complex structures – Introduction of chiral reference – Requires ED-specific data processing
– Introduction of chiral reference