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Information card for entry 2244149
Preview
| Coordinates | 2244149.cif |
|---|---|
| Structure factors | 2244149.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(3-Methoxyphenyl)-2,6-diphenylpyridine |
|---|---|
| Formula | C24 H19 N O |
| Calculated formula | C24 H19 N O |
| SMILES | O(c1cccc(c2cc(nc(c2)c2ccccc2)c2ccccc2)c1)C |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine |
| Authors of publication | Cheng, Dong; Meng, Xiang-Zhen; Tian, Fuyu; Yan, Dong; Wang, Xiaofei; Qian, Xueli; Wang, Junnan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 9 |
| a | 18.6588 ± 0.0002 Å |
| b | 5.4739 ± 0.0001 Å |
| c | 35.5689 ± 0.0005 Å |
| α | 90° |
| β | 100.729 ± 0.001° |
| γ | 90° |
| Cell volume | 3569.37 ± 0.09 Å3 |
| Cell temperature | 200 ± 0.1 K |
| Ambient diffraction temperature | 200 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277366 (current) | 2022-08-24 | cif/ hkl/ Adding structures of 2244149 via cif-deposit CGI script. |
2244149.cif 2244149.hkl |
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Users of the data should acknowledge the original authors of the
structural data.