CSD

The Cambridge Structural Database (CSD) is a highly curated and comprehensive resource.

Established in 1965, the CSD is the world’s repository for small-molecule organic and metal-organic crystal structures. Containing over one million structures from x-ray and neutron diffraction analyses, this unique database of accurate 3D structures has become an essential resource to scientists around the world.

Each one of the entries added to the database undergoes automated checking, and manual curation by one of our expert in-house scientific editors. Every structure is enriched with chemical representations, as well as bibliographic, chemical and physical property information, adding further value to the raw structural data. These editorial processes are vital for enabling scientists to interpret structures in a chemically meaningful way. Ensuring the CSD is of the highest quality allows scientists around the globe to generate rich insights into the properties and behavior of molecular structures and crystalline materials. This new knowledge has been applied across academia and industry in pursuit of new drugs, novel materials and a greater understanding of chemical and crystallographic phenomena.

CSD growth chart

Growth of the CSD since 1972, the red bar shows structures added annually.

With comprehensive and fully retrospective coverage of the published literature you can have full confidence that your CSD searches are returning all crystal structure matches. The CSD also contains data published directly through the CSD as CSD Communications that are not available anywhere else.

This rich data resource sits alongside advanced search, analysis and visualisation software available from the CCDC through CSD-Enterprise providing you with the tools to utliise this data to further your research and predict new outcomes. Furthermore, knowledge derived from the CSD underpins computational chemistry and molecular modelling. 

An image showing what's inside the CSD

An image showing what is inside the CSD

The CSD is continually updated with new structures (>50,000 new structures each year) and as it is an evolving database every year we also make extensive improvements and enhancements to existing entries. With regular web-updates and early online access to newly published structures you are able to easily keep informed of the latest research through the CSD. The CCDC enables you to explore what's inside the CSD through our CSD Statistics and Insights Section. This section shows how the database is evolving, who our top authors are and provides some insights into the direction small molecule structural chemistry is headed. You can also find out more about our journey to one million structures here

Image of the millionth structure added to the CSD

CSD Refcode XOPCAJ (DOI 10.5517/ccdc.csd.cc20vdhs) the million structure added to the CSD

Individual structures in the CSD can be viewed and retrieved using the CCDC’s free Access Structures service. Through Access Structures you can view the data-sets in both 2D and 3D, see some basic information about the structures and download individual deposited data-sets. More advanced curated information as well as advanced search, analysis and visualisation of the CSD is available through the CSD System and our more advanced CSD-Enterprise suites.