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Information card for entry 8101948
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| Coordinates | 8101948.cif |
|---|---|
| External links | PubChem |
| Chemical name | ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate |
|---|---|
| Formula | C26 H23 N3 O3 |
| Calculated formula | C26 H23 N3 O3 |
| Title of publication | Crystal structure of ethyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2- ethoxybenzimidazole-7-carboxylate, C~26~H~23~N~3~O~3~ |
| Authors of publication | Li, T.-H.; Mao, X.-B.; Song, Q.-B. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 2 |
| Pages of publication | 169 - 170 |
| a | 11.4799 ± 0.0014 Å |
| b | 8.3774 ± 0.0011 Å |
| c | 22.824 ± 0.003 Å |
| α | 90° |
| β | 90.299 ± 0.003° |
| γ | 90° |
| Cell volume | 2195 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1975 |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.639 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
8101948.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. |
8101948.cif |
| 107948 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101948.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101948.cif |
| 12687 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101948 via cif-deposit CGI script. |
8101948.cif |
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Users of the data should acknowledge the original authors of the
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