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Information card for entry 2238920
Preview
| Coordinates | 2238920.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole |
|---|---|
| Formula | C34 H28 N2 S2 |
| Calculated formula | C34 H28 N2 S2 |
| SMILES | c1ccc(cc1)C[C@H](n1c(nc(c1c1ccccc1)c1ccccc1)c1cccs1)CSc1ccccc1 |
| Title of publication | (<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole |
| Authors of publication | Gao, Jie; Wang, Hongyan; Yang, Liangru; Xiao, Yongmei; Mao, Pu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1858 |
| a | 12.7882 ± 0.0007 Å |
| b | 13.7906 ± 0.0006 Å |
| c | 16.0636 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2832.9 ± 0.2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238920.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238920.cif |
| 92330 | 2014-01-12 | cif/ Adding structures of 2238920 via cif-deposit CGI script. |
2238920.cif |
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Users of the data should acknowledge the original authors of the
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