Extending a partnership – a new workflow for crystallographic data in The Journal of Organic Chemistry

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Written by

Suzanna Ward

Posted on

October 7, 2020

We are delighted to announce that this week we launched a new workflow with The Journal of Organic Chemistry (JOC) to improve the processing of CIF files between the journal and the CCDC. This initiative has been possible through our continued partnership with ACS Publications and is a natural extension to the workflow that was successfully adopted by Crystal Growth & Design in 2016, and Inorganic Chemistry, Organic Letters, and Organometallics in 2017.

We are always looking for new ways to improve the accessibility of the data in the Cambridge Structural Database (CSD) and to ensure that crystallographic data is available to researchers worldwide at the point of publication. It is essential that we collaborate with publishers to help us achieve this and so ACS Publications are a key partner for us. They have been pivotal in driving this workflow forward and we hope journal readers, CSD users and depositors will all see the benefit.

JOC Editor-in-Chief Scott J. Miller stated, “We are all very enthusiastic about these new workflows, as they should make study of the crystallographic data in JOC papers easier and more impactful for all.

Image depicting the new partnership

Submit-Access-Visualize – demonstrating the new partnership between The Journal of Organic Chemistry and the CCDC

Extending our workflows to The Journal of Organic Chemistry helps ensure a single version of record for the scientific community. Our joint deposition service with FIZ Karlsruhe provides the single place for deposition and the full workflow minimises errors and provides validation of the data prior to publication. Journal editors and peer reviewers can access the data pre-publication and, if required, depositors can easily revise their data prior to publication. Once the article is published, readers can access and visualise the data from the publication. CSD users also benefit from any data associated with The Journal of Organic Chemistry that is added to the database immediately at the point of publication, links to the article itself via the publication DOI, and of course through the additional validation and integrity checks that help maintain the quality of the data in the CSD.

The CSD and The Journal of Organic Chemistry go back a long way. The first structure associated to the journal was published in 1962. The number of structures grew steadily after then and by 1970, when the CCDC published its first book of structural data, 22 structures had been published in The Journal of Organic Chemistry.  Today over 25,000 structures have been shared through the journal and last year alone over 1,200 structures were associated with it. This puts The Journal of Organic Chemistry in fifteenth place in terms of journals that have contributed the most structures to the CSD over all time. A significant achievement that highlights the importance of this new workflow.

Image of CSD refcode CBFUZO

A structure of 5-Chlorobenzfurazan-1-oxide, CSD refcode CBFUZO. The first structure from The Journal of Organic Chemistry in the CSD

You can find more information about this new initiative, along with details about the changes to the CIF workflow, in this article published by ACS Publications - https://axial.acs.org/2020/10/06/cif-workflow-organic/


CSD (101)