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The Cambridge Structural Database - The world repository of small molecule crystal structures
The Cambridge Structural Database (CSD) is the principal product of the CCDC.
It is the central focus of the CSD System, which also comprises software for database access,
structure visualisation and data analysis, and structural knowledge bases derived from the CSD.
The CSD records bibliographic, chemical and crystallographic information for:
- organic molecules
- metal-organic compounds
whose 3D structures have been determined using
- X-ray diffraction
- neutron diffraction
The CSD records results of:
- single crystal studies
- powder diffraction studies
which yield 3D atomic coordinate data for at least all non-H atoms. In some cases the CCDC is unable to obtain coordinates, and incomplete entries are archived to the CSD.
The CSD includes crystal structure data arising from:
- publications in the open literature
- Private Communications to the CSD (via direct data deposition)
The CSD does not store:
The Cambridge Structural Database (CSD) is distributed as part of the CSD System which includes software for:
- search and information retrieval (ConQuest)
- structure visualisation (Mercury)
- numerical analysis (Vista)
- database creation (PreQuest)
The CSD System also incorporates IsoStar, a knowledge base
of intermolecular interactions, containing data derived from both
the CSD and the PDB.
For further information about obtaining the CSD System contact CCDC.
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