Cambridge Crystallographic Data

A Program for CIF Generation, Cambridge Crystallographic Data Centre, Cambridge, UK, 1992. 

CSD Cambridge Crystallographic Data Centre organic, me-talorganic crystal structures numeric 257000 experi- ments Cambridge Crystallographic Data Centre commercial CD-ROM periodi- cally www.ccdc.ca- rn.ac.uk... 

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. 

It is, of course, debatable whether it might be more appropriate to choose other CarN single bond values from the tables of bond lenghts that were evaluated by the Cambridge Crystallographic Data Centre in collaboration with two other groups (Allen et al., 1987). 

Figure 15 Structure of TgPhg. (Redrawn using data for structure OPSlOY from the Cambridge Crystallographic Data Centre.) H atoms are omitted for clarity.

Personal communication, Cambridge Crystallographic Data Center, CCDC No. 138649... 

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)... 

Cambridge Crystallographic Data Center CCDC, 12 Union Road, Cambridge, CB2 lEZ UK. 

Allen FH, Bellard S, Brice MD, Cartwright BA, Doubleday A, Higgs H, Hummelink T, Hummelink-Peter BG, Kennard O, Motherwell WDS, Rodgers JR, Watson DG. The Cambridge Crystallographic Data Centre Computer-based search, retrieval, analysis and display of information. Acta Crystallogr, Sect B 1979 B35 2331-9. 

BEDT-TTF Bis(ethylenedithio)tetrathiafulvalene CCDC Cambridge Crystallographic Data Centre... 

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. 

Fragment search in the Cambridge Crystallographic Data Base reveals 127 hits out of 42381 entries (state May 1985) having dimethyl sulfoxide as the search query and allowing for the presence of metal atoms. In absence of such elements, the number of hits is reduced to 27. 

Experimental values (x-ray) were taken from the Cambridge Crystallographic Data File (Allen, Davies, Galloy, Johnson, Kennard, Macrae, Mitchell, Smith Watson, 1991). The calculated values were obtained by taking the tj> and v j—values of each residue in the crystal structures as input in a program that calculates the values of peptide main chain parameters as functions of cf> and 4>. Further details are described in the text. 

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).

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