Old notices
These pages collect together notices posted on the IUCr web site in past years. They are retained for archival interest, but there is no guarantee (or likelihood) that many of the web links found in these notices will still be active.
Cambridge Structural Database reaches one million structures
On 6 June 2019, the Cambridge Crystallographic Data Centre (CCDC) announced a huge milestone for structural chemistry with the addition of the millionth structure into the Cambridge Structural Database (CSD).
The millionth structure to enter the CSD, 1-(7,9-diacetyl-11-methyl-6H-azepino[1,2-a]indol-6-yl)propan-2-one (CSD Refcode XOPCAJ), and the IUCr's contributions to the CSD by journal.
The CSD is the world's repository of highly curated experimentally determined organic and metal–organic crystal structures. It is used globally by scientists in more than 70 countries to understand how molecules behave and interact in three dimensions in the solid form and ultimately how this affects physical properties.
The 1,000,000th structure is an N-heterocycle produced by a chalcogen-bonding catalyst activating multiple reaction steps sequentially. In the paper the authors describe a class of chalcogen-bonding catalysts that enable the assembly of discrete small molecules leading to the construction of N-heterocycles in a highly efficient manner. The structure was determined by Yao Wang and co-authors from Shandong University in China and published in the Journal of the American Chemical Society.
The IUCr has made a significant contribution to the growth of the CSD, having contributed nearly 90,000 structures; just under 50% of these were published in Acta Cryst. E.
