Absolute structure determination of Berkecoumarin by X-ray and electron diffraction
Status PubMed-not-MEDLINE Language English Country Great Britain, England Media print-electronic
Document type Journal Article
Grant support
P20 GM103546
NIGMS NIH HHS - United States
P30 GM140963
NIGMS NIH HHS - United States
U24 GM129539
NIGMS NIH HHS - United States
U24 GM129539
NIH HHS - United States
PubMed
38598330
PubMed Central
PMC11068058
DOI
10.1107/s2053229624003061
PII: S2053229624003061
Knihovny.cz E-resources
- Keywords
- Berkecoumarin, absolute structure determination, chromenone, coumarin, crystal structure, dynamical refinement, electron diffraction, microED, natural product,
- Publication type
- Journal Article MeSH
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.
Chemistry and Biochemistry University of Montana 32 Campus Drive Missoula Montana 59812 USA
Institute of Physics of the CAS Na Slovance 1999 2 Prague 19200 Czech Republic
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