使用单晶X射线衍射确定绝对构型。

Determination of absolute configuration using single crystal X-ray diffraction.

作者信息

Albright Abigail L, White Jonathan M

机构信息

School of Chemistry, The University of Melbourne, Melbourne, Australia.

出版信息

Methods Mol Biol. 2013;1055:149-62. doi: 10.1007/978-1-62703-577-4_11.

DOI:10.1007/978-1-62703-577-4_11

PMID:23963909

Abstract

Single crystal X-ray crystallography is the most powerful structural method for the determination of the 3D structures of molecules. While the results of a routine diffraction experiment readily provide unambiguous determination of the relative configuration of all stereogenic centers in the molecule, determination of absolute configuration is more challenging. This chapter provides some helpful tips towards increasing the chances of success in the determination of the absolute configuration of a chiral, enantiomerically pure natural product using X-ray crystallography.

摘要

单晶X射线晶体学是确定分子三维结构最强大的结构分析方法。虽然常规衍射实验的结果能够轻松明确地确定分子中所有手性中心的相对构型，但确定绝对构型则更具挑战性。本章提供了一些实用技巧，有助于提高使用X射线晶体学确定手性、对映体纯的天然产物绝对构型时成功的几率。