June 2024 Data Update
New structures, new possibilities
The new update brings a diverse range of structural chemical information directly to desktop CCDC software. Explore today and start discovering the latest trends and insights of the CSD. To help you get started, here is a breakdown of just some of the exciting new structures to be found in the June 2024 data release.
Just under half of the new entries are metal organic (7,453 entries), ranging from discrete metal complexes to metal-organic frameworks (MOFs). For example, this update includes long sought after near-linear dysprosium single-molecule magnet (CSD Entry EGOPEZ) reported by Emerson-King et al. in the Journal of the American Chemical Society.
The remaining structures are organic only (7,898 entries), with a range of applications from explosives to insecticides. An example of the former has been reported by Qiao et al. in Crystal Growth & Design (CSD Entry KONCUP). Also included in this release are three polymorphs of insecticide fluralaner (Eg, polymorph III CSD Entry VOPSEC02) reported by Li et al. in Crystals.
This update increases the wealth of knowledge within our pre-defined hitlists, including 211 entries added to the CSD drug subset and 534 entries added to polymorphic subset. An addition to the former is the dihydrate of drug ribociclib (CSD Entry GOKCES), a treatment for cancer. The study by Sangwan et al. in Crystal Growth & Design investigates increasing the solubility of ribociclib through salt formation. An example of the latter comes from an investigation by Jana et al. in Crystal Growth & Design, who report two polymorphs of a Schiff base (CSD Entries HOMQOT / HOMQOT01).
The June 2024 data update also adds new entries with a CCDC chemical class: further categories of entries in the CSD, which could be difficult to locate by other means. CCDC chemical classes examples include amino acids (159 new entries, CSD Entry ASPARM27), carbohydrates (46 new entries, CSD entry FOHBOX), organic polymers (43 new entries, CSD Entry NOFZOB) and porphyrins (172 new entries, CSD Entry FONLUT).
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 will be more than happy help.
Next Steps
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