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JOURNALS // Uspekhi Khimii // Archive

Usp. Khim., 1999 Volume 68, Issue 1, Pages 3–22 (Mi rcr1441)

This article is cited in 19 papers

Cambridge Structural Database as a tool for studies of general structural features of organic molecular crystals

L. N. Kuleshova, M. Yu. Antipin

A. N. Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences, Moscow

Abstract: The review surveys and generalises data on the use of the Cambridge Structural Database (CSD) for studying and revealing general structural features of organic molecular crystals. It is demonstrated that software and facilities of the CSD allow one to test the applicability of a number of known concepts of organic crystal chemistry (the principle of close packing, the frequency of occurrence of space groups, the preferred formation of centrosymmetrical molecular crystals, etc.) on the basis of abundant statistical data. Examples of the use of the Cambridge Structural Database in engineering of molecular crystals and in the systematic search for compounds with specified properties are given. The bibliography includes 122 references.

UDC: 548.31

Received: 23.04.1998

DOI: 10.1070/RC1999v068n01ABEH000453


 English version:
Russian Chemical Reviews, 1999, 68:1, 1–18

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