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 |