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Information card for entry 8106940
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| Coordinates | 8106940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H13 N5 |
|---|---|
| Calculated formula | C18 H13 N5 |
| Title of publication | Crystal structure of 3,6-di(1H-imidazol-1-yl)-9H-carbazole, C18H13N5 |
| Authors of publication | Meng, Jiang ping; Xu, Qiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 561 - 563 |
| a | 10.2582 ± 0.0004 Å |
| b | 13.6507 ± 0.0004 Å |
| c | 20.7982 ± 0.0009 Å |
| α | 90° |
| β | 101.194 ± 0.004° |
| γ | 90° |
| Cell volume | 2857 ± 0.19 Å3 |
| Cell temperature | 173 ± 0.1 K |
| Ambient diffraction temperature | 173 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0874 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281977 (current) | 2023-03-22 | cif/ Adding structures of 8106940 via cif-deposit CGI script. |
8106940.cif |
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Users of the data should acknowledge the original authors of the
structural data.