Open AccessAbsolute-Structure Determination: Past, Present and Future
Author(s) -
H. D. Flack
Publication year - 2014
Publication title -
chimia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.387
H-Index - 55
eISSN - 2673-2424
pISSN - 0009-4293
DOI - 10.2533/chimia.2014.26
Subject(s) - absolute (philosophy) , absolute configuration , crystal structure , absolute zero , crystallography , physics , chemistry , stereochemistry , philosophy , quantum mechanics , epistemology
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 Rmerge 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.