Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples

Sherwood, A.M.; Kargbo, R.B.; Kaylo, K.W.; Cozzi, N.V.; Meisenheimer, P.; Kaduk, J.A.

doi:10.1107/S2053229621013164

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 7
Comparison of the Rietveld-refined (red) and VASP-optimized (blue) structures of psilocybin Polymorph B Molecule 2. The r.m.s. Cartesian displacement is 0.121 Å.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 78| Part 1| January 2022| Pages 36-55

https://doi.org/10.1107/S2053229621013164

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