CSD 化學結構晶體圖編輯軟體

■ 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 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 System also incorporates IsoStar, a knowledge base of intermolecular interactions, containing data derived from both the CSD and the PDB.