The February 2021 CSD Data Update

We are pleased to announce that the February 2021 data update of the Cambridge Structural Database (CSD) is now available! This data update is available to users of our CSD software portfolio bringing you 20,058 new structures (20,698 new entries) and increasing the total size of the CSD to over 1.1 million structures.

So, what can you expect to find in this update?

One of the first structures to highlight is the 1.1 millionth structure itself – CSD Refcode ELOFUJ – a CSD Communication determined by Bill Clegg and Ross Harrington at Newcastle University.  This is one of 1,763 CSD Communications in the update and takes the total number to over 39,000 entries. As well as structures published directly through the CSD this update enables us to explore more structures associated with thesis publications and there are now over 400 of these entries in the CSD. If you have more data you want to us to share through the CSD in the next update you can find out how we can help you do that here.

Chemical insights

Each of the 20,058 new structures adds to the wealth of insights we can learn from the data and collectively they help to stretch our knowledge of chemistry. Structures in the update also reflect the dominance of industries such as telecommunications and how much our understanding of structural chemistry underpins these industries. For example the update includes seven structures reported by Shaffer et al (10.1002/chem.202003680) (CSD Refcode FACHEA) as part of their study into the capture of haloauric acids, important due to the increasing use of gold in industries such as telecommunications, nanotechnology and medicine.

CSD Entry FAHVET a compound showing remarkable selectivity

 

We can also observe some remarkable chemistry through structures in the CSD.  The update includes an aluminium(i) compound reported (10.1002/anie.202011594) to selectively break the toughest carbon-carbon bond in biphenylene (CSD Refcode FAHVET). The authors report that this type of selectivity is unprecedented.

 

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. To use this auto-update mechanism you need to have already installed the 2020.3 version of our software. More information is available via our Support section.

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.