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Information card for entry 2311158
Preview
| Coordinates | 2311158.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Prop-2-en-1-yl 4-(4,5-diphenyl-1<i>H</i>-imidazol-2-yl)benzoate |
|---|---|
| Formula | C25 H20 N2 O2 |
| Calculated formula | C25 H20 N2 O2 |
| Title of publication | Prop-2-en-1-yl 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoate. |
| Authors of publication | Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdelhamid, Antar A.; Santoyo-Gonzalez, Francisco |
| Journal of publication | Acta crystallographica. Section E, Structure reports online |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | Pt 7 |
| Pages of publication | o1105 - 6 |
| a | 15.705 ± 0.005 Å |
| b | 14.888 ± 0.005 Å |
| c | 17.589 ± 0.006 Å |
| α | 90° |
| β | 105.151 ± 0.004° |
| γ | 90° |
| Cell volume | 3970 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0899 |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1485 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2311158.cif |
| 245630 | 2019-12-25 | cif/ Adding structures of 2311158 via cif-deposit CGI script. |
2311158.cif |
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Users of the data should acknowledge the original authors of the
structural data.