September 2022 CSD Data Update

We are pleased to announce the September 2022 data update of the Cambridge Structural Database (CSD) is now available! This data update brings you 15,538 new organic and metal-organic experimentally determined structures (16,731 new entries) and increases the total size of the CSD to nearly 1.2 million structures (and over 1.2 million entries).

What is in the September 2022 CSD data update?

This vast collection of new structures further expands our knowledge of chemistry and its application in material science, drug development, catalysts etc. Here, we select a few examples to demonstrate the exciting new additions.

A breakthrough study reported by Lingenfelder et al. in Nature claims that both activity and selectivity of the oxygen evolution reaction are enhanced by functionalizing metal oxide catalysts with chiral hetero-helicenes such as CSD Entry YEJCOJ. This study opens possibilities for designing new catalytic systems.

CSD Entry YEJCOJ a functionalized metal oxide catalyst with chiral hetero-helicene

CSD Entry YEJCOJ

 

Over 52% (8758) of the new structures are metal organic structures that includes the first systematic study on the transition metal-promoted C–H bond activation of substituted quinolines published by Esteruelas et al. in Organometallics. CSD Entry ZEJHUV highlights the 9 structures with different substituent on various positions.

CSD Entry ZEJHUV a metal organic structure with substituted quinoline

CSD Entry ZEJHUV

 

Organic structures make up the remaining 7973 entries in this update. Among them, CSD Entry ADOHAG Pocahemiketone A isolated from Pogostemon cablin, the patchouli plant, displays great potential treating Alzheimers disease reported by Xiong et al. in Organic Letters.

CSD Entry ADOHAG a natural product from the patchouli plant which shows potential in treating Alzheimer's diseaseCSD Entry ADOHAG

 

This update contains 1,546 CSD Communication entries that are not available anywhere else, 66 of which are obtained from synchrotron radiation source. The data of CSD Entry XEHRUB was collected at the HZB BESSY Synchrotron in Berlin at the Beamline 14.2.

CSD Entry XEHRUB collected at the HZB BESSY synchotron in BerlinCSD Entry XEHRUB

 

Installing the update

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. To use this auto-update mechanism you need to have already installed the 2021.3 version of our software. More information is available in this FAQ.

If you would prefer to download and install an update manually or you are unable to run the auto-update mechanism through your computer, then all of our updates are also made available via the 'Data & Software Updates' section of our Downloads page and you can install them manually.

If you are having problems installing the updates please see our FAQ for more details and other options.

 

Learn more about the Cambridge Structural Database (CSD) here.

Find out how the CSD is used in scientific research around the world, from drug discovery to functional materials design, in these case studies.