Cambridge Structure Database (CSD)

The Cambridge Structure Database (CSD) is a database of small molecule organic and organometallic crystal structures operated by the Cambridge Crystallographic Data Centre (CCDC), with over 1.2 million structures registered as of February 2023. The structures can be retrieved in the form of CIF files and 3D and 2D structures can be viewed on the web. The CSD also contains information on related papers, crystallographers who discovered them, details of crystals, metadata of experimental data, etc.. Each structure has a unique DOI code. Registered structures include information on organic crystals such as pharmaceuticals, pesticides, pigments, explosives, and protein ligands (small molecules that bind and function), as well as information on organometallic compounds such as models for new catalysts, porous gas storage frameworks, and fundamental chemical bonds.