Acta Crystallographica Section A

Foundations of Crystallography

Volume 55, Part 5 (September 1999)


research papers



Acta Cryst. (1999). A55, 908-915    [ doi:10.1107/S0108767399004262 ]

Absolute structure and absolute configuration

H. D. Flack and G. Bernardinelli

Abstract: Fundamental notions concerning absolute structure and absolute configuration, and their determination from single-crystal diffraction measurements, are presented and reviewed. A glossary of terms with definitions useful in this field is provided. For absolute structure and its determination, the separate but interacting influences of the structure and the inversion-distinguishing power of an X-ray diffraction experiment with dispersive scatterers are examined. Important experimental and algorithmic details of the current methods used for absolute-structure determination are provided. Characterization of crystals for absolute-structure determination and of molecules for absolute-configuration determination are treated. Attention is given to the analysis of absolute structure and absolute configuration in twinned crystals.

Keywords: absolute configuration; twinning.

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