Absolute structure determination of Berkecoumarin by X-ray and electron diffraction.

Acta Crystallogr C Struct Chem

Chemistry and Biochemistry, University of Montana, 32 Campus Drive, Missoula, Montana 59812, USA.

Published: May 2024

X-ray and electron diffraction methods independently identify the S-enantiomer of Berkecoumarin [systematic name: (S)-8-hydroxy-3-(2-hydroxypropyl)-6-methoxy-2H-chromen-2-one]. Isolated from Berkeley Pit Lake Penicillium sp., Berkecoumarin is a natural product with a light-atom composition (CHO) that challenges in-house absolute structure determination by anomalous scattering. This study further demonstrates the utility of dynamical refinement of electron-diffraction data for absolute structure determination.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11068058PMC
http://dx.doi.org/10.1107/S2053229624003061DOI Listing

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