Cambridge Crystallographic Data Centre Structural Database

Structure retrieval or generation Crystal structures of organic compounds can be found in the Cambridge Crystallographic Data Centre (CCDC) database (http //www.ccdc.cam.ac.uk/). Those that do not exist may be generated by 3D rendering software. The 3D structural coordinates of biomacromolecules can be retrieved from the Protein Data Bank (http //www.rcsb.org/pdb/). 

Cambridge Structural Database System (2000), v5.21. Cambridge Crystallographic Data Centre, Cambridge... 

Cambridge Structural Database (CSD). Cambridge Crystallographic Data Centre, University Chemical Laboratory, Cambridge, UK. Electronic database of crystal structures of organic and metallorganic compounds. www.ccdc.cam.ac.uk. 

The Cambridge Crystallographic data Centre contains the Cambridge Structural Database, which has X-ray or neutron diffraction structures of more than 500,000 compounds. Useful for comparing experimental and calculated structure, and obtaining guess structures to initiate an optimization. www.ccdc.cam.ac.uk/... 

The Cambridge Crystallographic Data Centre produces the Cambridge Structural Database (http //www.ccdc.cam.ac.uk/products/csd/), which covers organic and metal-organic small-molecule crystal structures. 

Cambridge Structural Database Cambridge Crystallographic Data Centre Cambridge, UK, 2002. 

TTie Cambridge Structural Database A Quarter of a Million Crystal Structures and Rising, Cambridge Crystallographic Data Centre, version 5.28, November 2006, Cambridge, UK F.H. Allen, Acta Cryst., B58, 380 (2002). 

When all the atoms of the target structure have been found and refined so that no movement/variation of any structural parameter occurs, the refinement programs will output a file which can be used for the analysis of the structure and deposition to databases, like Cambridge Crystallographic Data Centre. This file is called Crystallographic Information File, i.e. CIF file, and it has a specific and regulated format. 

CSD The Cambridge Structural Database produced by the Cambridge Crystallographic Data Centre contains bibliographic, chemical, and numerical data of x-ray structures. This machine-readable file is a comprehensive compendium of molecular geometries of organic and organometallic compounds. 

Cambridge Structural Database, Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 lEZ UK, Tel, = +44-1223-336408. Available from http //www.ccdc.cam.ac.uk Released by Wavefunction, Inc. 18401 von Karman Ave., Suite 370, Irvine CA 92612, Tel. = 949-955-2120. Fax = 949-955-2118. http //www.wavefun.com. Version 1.8, 2005. 

The Cambridge Crystallographic data Centre contains the Cambridge Structural Database, which has X-ray or neutron diffraction structures of more than 230 000... 

Many of the structural figures in this book have been drawn using atomic coordinates determined from X-ray diffraction experiments (see the individual figure captions). Databases such as the Cambridge Crystallographic Data Centre are invaluable sources of structural information (see the reference by A.G. Orpen below). 

Cambridge Crystallographic Data Centre — Maintains the Cambridge Structural Database of over 430,000 organic compounds. The data files and manipulation software are distributed in several ways. Address 12 Union Rd., Cambridge CB2 lEZ, UK. [www.ccdc.cam.ac.uk]. 

The Cambridge Structural Database a quarter of a million crystal structures and rising F. H. Allen, Acta Cryst., B58,380-388, 2002. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data request/cif... 

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