Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry

被引：550

作者：

Allen, FH ^{[1
]}

Motherwell, WDS ^{[1
]}

机构：

[1] Cambridge Crystallog Data Ctr, Cambridge CB2 1EZ, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS | 2002年 / 58卷

关键词：

D O I：

10.1107/S0108768102004895

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The Cambridge Structural Database (CSD) and its associated software systems have formed the basis for more than 800 research applications in structural chemistry, crystallography and the life sciences. Relevant references, dating from the mid-1970s, and brief synopses of these papers are collected in a database, DBUse, which is freely available via the CCDC website. This database has been used to review research applications of the CSD in organic chemistry, including supramolecular applications, and in organic crystal chemistry. The review concentrates on applications that have been published since 1990 and covers a wide range of topics, including structure correlation, conformational analysis, hydrogen bonding and other intermolecular interactions, studies of crystal packing, extended structural motifs, crystal engineering and polymorphism, and crystal structure prediction. Applications of CSD information in studies of crystal structure precision, the determination of crystal structures from powder diffraction data, together with applications in chemical informatics, are also discussed.

引用

页码：407 / 422

页数：16

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