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Information card for entry 8106507
Preview
| Coordinates | 8106507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H18 Cl N3 |
|---|---|
| Calculated formula | C28 H18 Cl N3 |
| SMILES | c1(ccc(cc1)Cl)n1c2c(cn1)cnc1c2cc(cc1c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of 1-(4-chlorophenyl)-6,8-diphenyl-1H-pyrazolo[4,3-c]quinoline, C28H18ClN3 |
| Authors of publication | Maluleka, Marole M.; Mphahlele, Malose J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 2 |
| Pages of publication | 271 - 272 |
| a | 5.9519 ± 0.0002 Å |
| b | 8.0511 ± 0.0003 Å |
| c | 43.4071 ± 0.0014 Å |
| α | 90° |
| β | 90.001 ± 0.002° |
| γ | 90° |
| Cell volume | 2080.04 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0784 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1794 |
| Weighted residual factors for all reflections included in the refinement | 0.1904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.84 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280464 (current) | 2023-01-20 | cif/ Adding structures of 8106507 via cif-deposit CGI script. |
8106507.cif |
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Users of the data should acknowledge the original authors of the
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