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Updated: Jun 28, 2025

Microcrystal Electron Diffraction of Small Molecules
Published on: March 15, 2021
Absolute structure determination of Berkecoumarin by X-ray and electron diffraction
Daniel Decato1, Lukáš Palatinus2, Andrea Stierle1
1Chemistry and Biochemistry, University of Montana, 32 Campus Drive, Missoula, Montana 59812, USA.
Abstract:
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 (C13H14O5) 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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