The Cambridge Structural Database Data Update - November 2018

Announcing the first 2019 Cambridge Structural Database (CSD) data update! This data update means the CSD now contains 957,868 unique structures and 973,630 entries (CSD version 5.40) – an increase of more than 57,000 entries from last year. We are currently on course to reach a million structures by summer 2019 and you can now monitor progress and see the latest number of structures on our homepage! Used by scientists worldwide, the CSD provides the complete crystal structure database for chemists working with organic and metal-organic compounds.

The 2019 CSD release also contains more targeted enhancements to existing entries. Over 80,000 entries have been been updated to give additional information and ensure more consistent search results. Enhancements this year include:

  • Comprehensive review and enhancement of another 14,000 historical entries
  • Addition of a further 15,000 metal oxidation states, meaning the CSD now contains oxidation state information for almost 300,000 entries
  • Article DOI links added to over 8,000 more entries

CSD refcode OFATAT

CSD refcode OFATAT (https://dx.doi.org/10.5517/ccdc.csd.cc1pjn2y) is a new entry in this latest release.

CSD refcode OFATAT is one of many fascinating new entries in this release. This structure is the amazing “most complex molecular knot to date” which has one continuous 324-membered molecular ring with nine alternating crossings!

This data update also comes with our 2019 software update, you can find out more about this in our latest blog post – "2019 CSD Release: A New Beginning"

Let us know if you have any feedback or questions about the latest software and data update.  As always, we are available via e-mail at support@ccdc.cam.ac.uk or through our CCDC social media channels (FacebookLinkedIn and Twitter).


Installing the updates

The CSD software suites have a built-in auto-update mechanism that makes updating the data and software easy and will also notify you if an update is available. More information is available via our Support section

If you would prefer to download and install an update manually, then all of our updates are also made available via the 'Data & Software Updates' section of our Downloads page.