The authors solved the crystal structures of two anhydrous psilocybin polymorphs (Polymorphs A and B) by Rietveld refinement against laboratory and synchrotron PXRD supported by DFT, and used those structures together with the known Hydrate A to perform quantitative phase analysis of historical and recent samples. They demonstrate that all examined material from 1963–2021 is accounted for as mixtures of these three forms (notably a claimed “isostructural variant” is ~81% Polymorph A/19% Polymorph B), concluding no additional crystalline forms are required and recommending revision of certain patent characterisations.
- Published
- Journal
- Acta Crystallographica Section C
- Authors
- Sherwood, A. M., Cozzi, N. V., Meisenheimer, P., Kaduk, J. A.