通过X射线和电子衍射对伯克香豆素进行绝对结构测定。
Absolute structure determination of Berkecoumarin by X-ray and electron diffraction.
作者信息
Decato Daniel, Palatinus Lukáš, Stierle Andrea, Stierle Donald
机构信息
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.
出版信息
Acta Crystallogr C Struct Chem. 2024 May 1;80(Pt 5):143-147. doi: 10.1107/S2053229624003061. Epub 2024 Apr 10.
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.
X射线和电子衍射方法分别鉴定出了伯克香豆素的S-对映体[系统名称：(S)-8-羟基-3-(2-羟丙基)-6-甲氧基-2H-色烯-2-酮]。伯克香豆素是从伯克利矿坑湖青霉菌中分离得到的一种天然产物，其轻原子组成（CHO）给通过反常散射进行内部绝对结构测定带来了挑战。本研究进一步证明了电子衍射数据动态精修在绝对结构测定中的实用性。
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