Absolute structure determination of Berkecoumarin by X-ray and electron diffraction
Open Access
- 10 April 2024
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section C Structural Chemistry
- Vol. 80 (5) , 143-147
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.Keywords
Funding Information
- National Institutes of Health, National Institute of General Medical Sciences (P30GM103546)
- National Science Foundation (CHE1337908)
- National Institutes of Health (U24 GM129539)
- Simons Foundation (SF349247)
- Czech Science Foundation (21-05926X)
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