Cambridge Structural Database (CSD)

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The Cambridge Structural Database (CSD), maintained by the Cambridge Crystallographic Data Centre (CCDC), is the world's largest curated collection of experimentally determined crystal structures, containing more than 1.3 million accurate 3D structures derived from X ray, neutron, and electron diffraction analyses. It is widely used across research and industry including pharmaceuticals, agrochemicals, and fine chemicals, to support structure prediction, materials design, and data driven discovery. Within PSDI, access to the CSD is available to authenticated users from the UK academic community. Users can search the CSD through the Find a Substance option in the PSDI Cross Data Search service or via the dedicated webCSD interface. CSD software tools are also available through PSDI's Remote Desktop Access. Use the Visit or resource landing page link to search the CSD via PSDI Cross Data Search, and see Linked Resources for links to webCSD and CSD software. Find out more using the links in the Further Information section.

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This resource is part of the PSDI Subscribed Resources & Data Sources for PSDI Cross Data Search resource themes.

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Citation

The preferred general citation to the Cambridge Structural Database is: The Cambridge Structural Database C. R. Groom, I. J. Bruno, M. P. Lightfoot and S. C. Ward, Acta Cryst. (2016). B72, 171-179 DOI: 10.1107/S2052520616003954

Keywords and Subjects

CCDC
Cambridge Crystallographic Data Centre
crystal structures
structural chemistry
FAIR
physical sciences
materials science
molecular geometry
molecular interactions
molecular design
experimental data
CoreTrustSeal
pure component
multi component
PSDS
Physical Sciences Data-Science Service