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Information card for entry 8101819
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| Coordinates | 8101819.cif |
|---|---|
| External links | ChemSpider; PubChem |
| Chemical name | 4-(4-(1H-imidazol-1-yl)phenyl)-2,6-diphenylpyridine |
|---|---|
| Formula | C26 H19 N3 |
| Calculated formula | C26 H19 N3 |
| SMILES | c1cn(cn1)c1ccc(cc1)c1cc(c2ccccc2)nc(c1)c1ccccc1 |
| Title of publication | Crystal structure of 4-(4-(1H-imidazol-1-yl)phenyl)-2,6-diphenylpyridine, C~26~H~19~N~3~ |
| Authors of publication | Y.-Z. Wu; C.-X. Wang; W.-T. Yu; J.-X. Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 443 - 444 |
| a | 12.8849 ± 0.0014 Å |
| b | 15.007 ± 0.002 Å |
| c | 10.8625 ± 0.0015 Å |
| α | 90° |
| β | 109.46 ± 0.008° |
| γ | 90° |
| Cell volume | 1980.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2269 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.857 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101819.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8101819.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101819.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101819.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101819.cif |
| 12558 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101819 via cif-deposit CGI script. |
8101819.cif |
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Users of the data should acknowledge the original authors of the
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