12 Union Road, Cambridge, CB2 1EZ, UK, +44 1223 336408
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:
Polypeptides and polysaccharides having more than 24 units. These are recorded in the Protein Data Bank http://www.rcsb.org/pdb/
Oligonucleotides. These are stored in the Nucleic Acids Data Bank http://ndbserver.rutgers.edu/
Inorganic structures, which are stored in the Inorganic Crystal Structure Database http://www.fiz-karlsruhe.de/icsd_content.html
Metals and Alloys, which are stored in CRYSTMET® http://www.tothcanada.com/
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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12 Union Road, Cambridge, CB2 1EZ, UK, +44 1223 336408
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