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Open Access Absolute-Structure Determination: Past, Present and Future

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Single-crystal X-ray crystallography is the major analytical technique in use today for absolute-configuration determination. The origins of absolute-structure determination, starting from Friedel's 1913 proof that the intensities of the opposites hkl and hkl are identical, are traced. The important structural principles derived from the study of chiral, but pseudo-mirror symmetric, methyprylon are described. For the present time, the use of the average and difference intensities of the opposites hkl and hkl are stressed. This leads to the use of Friedif, of 2 AD and selected D plots, of R merge and the D-Patterson. The best techniques for absolute-structure determination in the future are described. Some advice to the scientific community concludes the paper.

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Keywords: ABSOLUTE CONFIGURATION; ABSOLUTE STRUCTURE; FLACK PARAMETER; RESONANT SCATTERING; X-RAY CRYSTALLOGRAPHY

Document Type: Research Article

Affiliations: University of Geneva Chimie minérale, analytique et appliquée Geneva, Switzerland. [email protected]

Publication date: 01 February 2014

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  • International Journal for Chemistry and Official Membership Journal of the Swiss Chemical Society (SCS) and its Divisions

    CHIMIA, a scientific journal for chemistry in the broadest sense, is published 10 times a year and covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.

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