The Cambridge Structural Database
A quarter of a million crystal structures and rising

October 12, 2001 Cambridge, UK. On October 5th 2001, the 250,000th crystal structure was archived to the Cambridge Structural Database (CSD), marking another milestone in the ever-accelerating growth of the world's repository of organic and metal-organic crystal structures.

The 250,000th structure is an organic compound, the product of a photocyclization reaction. It has been assigned the CSD reference code IBEZAQ and was one of two structures published in Angewandte Chemie (International Edition), 2001, 40, 577-579. The paper's authors are A.G. Griesbeck, W. Kramer and J. Lex, of the University of Ksln, Germany.

"This is a landmark achievement not only for the CSD, but also for small-molecule crystallography worldwide." said Dr. Frank Allen, Scientific Director of the Cambridge Crystallographic Data Centre (CCDC), the organization which compiles, evaluates and distributes the CSD. "The CSD began in 1965 with just a few hundred structures. We passed the 200,000 mark early in 1999, and we expect to reach half a million structures by 2010."

The Cambridge Structural Database is a unique and fully comprehensive research resource in molecular and supramolecular chemistry. Nearly 800 published papers describe uses of the CSD to study chemical bonding, molecular conformations, hydrogen bonding and other intermolecular interactions, and with particular emphasis on molecular and drug design. The CSD has subscribers at almost 120 industrial sites and nearly 1000 academic institutions, covering 56 countries worldwide.

"Expansion, maintenance, development and distribution of the CSD and its associated software continue to be the cornerstones of the CCDC's activities," said Dr. David Hartley, CCDC's Executive Director. "We are not only determined to maintain the currency of the CSD itself, but also to enhance its permanent value through the development of new scientific applications and software products ."

The CCDC is an independent non-profit organisation (UK Registered Charity No. 800579), which compiles and distributes the Cambridge Structural Database, the comprehensive database of published organic and metal-organic structures determined by x-ray and neutron diffraction techniques. The distributed CSD System also includes companion software systems for information retrieval and data analysis, and structural knowledge bases derived from CSD information. The CCDC and its collaborators also develop CSD-related applications programs such as SuperStar and GOLD, for investigating protein ligand interactions and for protein ligand docking, and DASH, a program for structure solution from powder diffraction data. A parallel database system, Relibase+, is also available for the analysis of protein-ligand structures in the Protein Data Bank.

General Information:
Wavefunction produces molecular modeling software and publications for both industry and academia. Their applications are used by chemists in research and education at thousands of sites around the world. Wavefunction was founded in 1991 by Dr. Hehre to promote the development and utilization of computational chemistry and molecular modeling in the mainstream chemistry community.

For additional information, contact:
Wavefunction, Inc., 18401 Von Karman Avenue, Suite 370, Irvine, CA 92612
(949) 955-2120 | (949) 955-2118 fax
www.wavefun.com | csd@wavefun.com

--OR--

Dr. S.J. Maginn, Support and Marketing Manager
CCDC, 12 Union Road, Cambridge CB2 1EZ, UK
phone +44 1223 762534 | FAX +44 1223 336033
www.ccdc.cam.ac.uk | maginn@ccdc.cam.ac.uk