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Information card for entry 4508698
Preview
| Coordinates | 4508698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Imidazole, 2,2'-(2,5-thiophenediyl)bis[4,5-diphenyl]-(8CI) |
|---|---|
| Formula | C38 H34 N6 O2 S |
| Calculated formula | C38 H34 N6 O2 S |
| Title of publication | Structures and Chromogenic Properties of Bisimidazole Derivatives |
| Authors of publication | Fridman, N.; Speiser, S.; Kaftory, M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 1653 |
| a | 20.254 ± 0.004 Å |
| b | 11.561 ± 0.002 Å |
| c | 30.395 ± 0.006 Å |
| α | 90° |
| β | 99.89 ± 0.02° |
| γ | 90° |
| Cell volume | 7011 ± 2 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0948 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508698.cif |
| 179622 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/86. |
4508698.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4508698.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4508698.cif |
| 96866 | 2014-01-29 | cif/ Adding structures of 4508698 via cif-deposit CGI script. |
4508698.cif |
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Users of the data should acknowledge the original authors of the
structural data.