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JACS Article Gives Cambridge Structural Database its 1 Millionth Structure

An article published in the Journal of the American Chemical Society (JACS) contains the 1 millionth structure added to the Cambridge Structural Database (CSD), according to The Cambridge Crystallographic Data Centre (CCDC).

The article, “Chalcogen–Chalcogen Bonding Catalysis Enables Assembly of Discrete Molecules,” was authored by Yao Wang of Shandong University, and co-authors Wei Wang, Haofu Zhu, Shuya Liu, Zhiguo Zhao, Liang Zhang, and Jingcheng Hao. Their work describes a N-heterocycle produced by a chalcogen bonding catalyst activating multiple reactions steps sequentially, the 1 millionth structure added to the CSD. The article is free to read during the month of June, 2019.

“We are delighted to hear that our structure (1-(7,9-diacetyl-11-methyl-6H-azepino[1,2-a]indol-6-yl)propan-2-one; CSD Refcode XOPCAJ) is the millionth structure to enter the CSD! We have used the CSD for over ten years because it is an excellent platform to report new crystal structures and an outstanding database to find inspirable chemical structures. It is a valuable resource to us and to many other scientists around the world so we are very proud to be associated with this milestone for the community,” said Professor Wang.

CSD is a curated repository of experimentally determined organic and metal-organic crystal structures used by scientists around the world. CSD illuminates molecular behaviors and interactions by present the structure in three dimensions in its solid form.

“We’d like to congratulate Yao Wang and all of his co-authors, for publishing the millionth structure and we are so grateful to the 350,000 plus scientists from around the world that have contributed their data, enabling us to reach this milestone and placing CSD as the go-to resource for structural information within the scientific community,” said Suzanna Ward, Head of the CSD.

JACS, the flagship journal of the American Chemical Society, is currently celebrating its 140th anniversary as the world’s preeminent chemistry journal in all of chemistry.

“We are delighted to hear that the millionth structure in the CSD was published in JACS. We know our readers value the CSD as a trusted repository of structural data and some of our authors have demonstrated how this rich resource can accelerate scientific research,” said JACS Editor-in-Chief Peter Stang. “Our continued collaboration with the CCDC helps make this wealth of data more accessible to the community as well as helping us ensure the integrity of data published in our journals and we are proud to be associated with such a significant milestone in structural chemistry.”

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