Cambridge Structural Database
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 vizualisation and
data analysis, and structural knowledge bases derived from the CSD.
The CSD records bibliographic, chemical and crystallographic
• 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 System also incorporates IsoStar, a knowledge base of
intermolecular interactions, containing data derived from both the
and the PDB.