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Information card for entry 2311137
Preview
| Coordinates | 2311137.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 4-(1-Allyl-4,5-diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline |
|---|---|
| Formula | C26 H25 N3 |
| Calculated formula | C26 H25 N3 |
| SMILES | n1(c(c(nc1c1ccc(N(C)C)cc1)c1ccccc1)c1ccccc1)CC=C |
| Title of publication | 4-(1-Allyl-4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl-aniline. |
| Authors of publication | Akkurt, Mehmet; Fronczek, Frank R.; Mohamed, Shaaban K.; Talybov, Avtandil H.; Marzouk, Adel A. E.; Abdelhamid, Antar A. |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 4 |
| Pages of publication | o527 - 8 |
| a | 9.4259 ± 0.0007 Å |
| b | 10.2028 ± 0.0007 Å |
| c | 44.721 ± 0.003 Å |
| α | 94.711 ± 0.002° |
| β | 94.096 ± 0.002° |
| γ | 107.359 ± 0.002° |
| Cell volume | 4070.2 ± 0.5 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1169 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311137.cif |
| 245609 | 2019-12-25 | cif/ Adding structures of 2311137 via cif-deposit CGI script. |
2311137.cif |
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Users of the data should acknowledge the original authors of the
structural data.