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Information card for entry 2243823
Preview
| Coordinates | 2243823.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-(Anthracen-9-yl)pyridine |
|---|---|
| Formula | C19 H13 N |
| Calculated formula | C19 H13 N |
| SMILES | c1cc(c2c3ccccc3cc3c2cccc3)ccn1 |
| Title of publication | Crystal structure of 4-(anthracen-9-yl)pyridine |
| Authors of publication | Zhao, Meng; Zhang, Gang; Zhang, Jingmiao; Huang, Shan; Liu, Xiuxia; Li, Fei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 605 - 608 |
| a | 6.0777 ± 0.0004 Å |
| b | 20.9211 ± 0.0016 Å |
| c | 10.2574 ± 0.0007 Å |
| α | 90° |
| β | 102.476 ± 0.003° |
| γ | 90° |
| Cell volume | 1273.45 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265125 (current) | 2021-05-12 | cif/ Adding structures of 2243823 via cif-deposit CGI script. |
2243823.cif |
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