This database is a comprehensive repository of validated and curated small molecule organic and metal-organic crystal structures, 1920-present.
It contains over 1.25M 3D structures with data from X-ray and neutron diffraction analyses and additional curation from the Cambridge Crystallographic Data Centre (CCDC).
Fully discoverable and accessible, the CSD is an essential trusted scientific resource giving big-data insights using powerful algorithms for molecular analysis.
he database currently contains X-ray and neutron diffraction analyses for carbon-containing compounds composed of up to 1000 atoms. Types of substances represented include:
- Organics
- Organometallics
- Metal complexes
- Compounds of main group elements
- Peptides of up to 24 residues
- Mono-, di-, and tri-nucleotides
The Cambridge Structural Database client version includes software for:
- ConQuest - search and information retrieval
- Mercury - structure visualization
- PreQuest - create an in-house database
- IsoStar - Intermolecular Interactions
- Mogul - Molecular geometry
- SuperStar - Protein-Ligand Interactions predictions (Windows and Linux versions)
- DASH - Structure Solution from Powder Diffraction Data (Available only on Windows)
Detailed info on the Cambridge Sturctural Database can be found on their website.
