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

Daniel Decato, Lukáš Palatinus, Andrea Stierle, Donald Stierle

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)143-147
Number of pages5
JournalActa Crystallographica Section C: Structural Chemistry
Volume80
Issue numberPt 5
DOIs
StatePublished - May 1 2024

Keywords

  • Berkecoumarin
  • absolute structure determination
  • chromenone
  • coumarin
  • crystal structure
  • dynamical refinement
  • electron diffraction
  • microED
  • natural product

Fingerprint

Dive into the research topics of 'Absolute structure determination of Berkecoumarin by X-ray and electron diffraction'. Together they form a unique fingerprint.

Cite this