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Information card for entry 8104637
Preview
| Coordinates | 8104637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 N2 O |
|---|---|
| Calculated formula | C26 H16 N2 O |
| SMILES | N1(c2c3ncccc3ccc2)c2c(c3c(C1=O)cccc3)c1c(cc2)cccc1 |
| Title of publication | Crystal structure of 6-(quinolin-8-yl)benzo[a]phenanthridin-5(6H)-one, C26H16N2O |
| Authors of publication | Li, Chuan-Jun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 969 - 970 |
| a | 12.3329 ± 0.0002 Å |
| b | 12.9276 ± 0.0002 Å |
| c | 12.1125 ± 0.0001 Å |
| α | 90° |
| β | 114.047 ± 0.002° |
| γ | 90° |
| Cell volume | 1763.55 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273338 (current) | 2022-03-04 | cif/ Adding structures of 8104637 via cif-deposit CGI script. |
8104637.cif |
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Users of the data should acknowledge the original authors of the
structural data.