Beyond 1.25 Million – The 2024 March Data Update
We are pleased to announce the March 2024 data update of the Cambridge Structural Database (CSD) is now available. This data update adds 18,633 new experimentally determined structures (19,852 new entries) to the CSD and increases its total size to over 1.27 million structures (1.3 million entries).
What is in the March 2024 CSD Data Update?
This large collection of new structures further expands our knowledge of structural chemistry and its applications in materials science, drug development, and catalysis. Here we highlight some of the new additions.
Slightly over half (10,004) of the new structures are metal-organic and include the first complexes with a plutonium–carbon double bond (J. Am. Chem. Soc., J Murillo et al.). This discovery enables comparisons to its lanthanide analogues and reveals divergence in chemical reactivity between actinide and lanthanides. CSD Entry EFOSUR shows the first N-heterocyclic carbene–plutonium interactions.
Organic structures make up the remaining 9848 entries in this update and include a hexacationic imidazolium organic cage shows promising iodine capture capability (Nature Communications). J. Yang et al. believe counterions play crucial role in assisting multiple non-covalent interactions during the process. CSD Entry SITSIB exhibits a record iodine vapor uptake capacity.
Another fine example from this update is the first structure determination of biogenic guanine crystals from spider integument using 3D electron diffraction (3D ED) technique (Cryst. Growth Des., A. Wagner et al.). This development opens opportunities to gain critical structural knowledge in other biogenic crystals, such as submicrometer sized pteridine and flavin crystals. CSD Entry KEMDOW02 has its hydrogens successfully located and confirms the beta polymorph.
This update also contains 1693 CSD Communication entries that are not available anywhere else. CSD Entry HILBEN was tested for inhibitory activity against acetylcholinesterase (AChE).
How to Get the Update
All available software or data updates can be applied by using the CCDC maintenance tool in the installation and selecting the Check for Updates option. If you have any questions our support team will be more than happy help.
Next Steps
- To discuss further and/or request a demo with one of our scientists please contact us via this form or email.
- Check out the Cambridge Structural Database for yourself and see how your research can benefit from the combined knowledge of over 1.3M small-molecule organic and metal-organic crystal structure data.
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