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 CSD and the PDB.