Cambridge Crystallographic Data Centre CCDC

Page 670 (Eigure 16.3) is adapted from crystallographic coordinates deposited witli The Cambridge Crystallographic Data Centre, CCDC ID NAMNSB. Duax, W. L., Smith, G. D., Strong, P. D., Journal of the American Chemical Society, 1980, 102, 6725. 

ICSD Database, National Institute of Standards and Technology (NIST) and Fachinformationszentrum Karlsruhe (FIZ) Cambridge Crystallographic Data Centre (CCDC, 12 Union Road, Cambridge CB2 lEZ, fax (+44)1223-336-033 e-mail deposit ccdc.cam.ac.uk)... 

Fig. 31. Molecular structure of 40h in the crystal. This figure was generated using data downloaded from The Cambridge Crystallographic Data Centre (CCDC) and corresponds to a structure originally reported in Ref. (212).

Figure 2.15 The molecular structure of the [Cun(16)]2+. The hydrogen atoms of ligand 16 have been omitted. The Cu11 center experiences a rather distorted square coordination geometry. Structure redrawn from data deposited at the Cambridge Crystallographic Data Centre CCDC 118957.

Although other 2,3-bis(N-pyrazolyl)quinoxaline, pyrazine or pyridazine heterocycles cannot be found in the Cambridge Crystallographic Data Centre (CCDC), the analogous 2,3-bis(2-pyridyl)quinoxalines [21] and pyrazines [22] do not show coplanarity between the heterocycles. However, as one would expect, coplanar rings were found in the 3,6-bis(2-pyridyl)pyridazine derivative [23]. 

The state of the art in crystal structure calculation is tested every few years in the crystal structure prediction blind tests organised by the Cambridge Crystallographic Data Centre (CCDC). As of the... 

Release April 2002. Produced by Cambridge Crystallographic Data Centre (CCDC) (http //www.ccdc.cam.ac.uk/prods/csd/csd.html). 

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/). 

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