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Information card for entry 8105119
Preview
| Coordinates | 8105119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H26 N2 O3 |
|---|---|
| Calculated formula | C29 H26 N2 O3 |
| SMILES | C1(c2ccccc2c2ccccc2N1C(=O)c1cc2ccccc2o1)C(=O)NC1CCCCC1 |
| Title of publication | The crystal structure of 5-(benzofuran-2-carbonyl)-N-cyclohexyl-5,6-dihydrophenanthridine-6-carboxamide, C29H26N2O3 |
| Authors of publication | Han, Weiwei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 2 |
| Pages of publication | 395 - 396 |
| a | 9.6533 ± 0.0008 Å |
| b | 11.3185 ± 0.0009 Å |
| c | 11.4469 ± 0.001 Å |
| α | 83.747 ± 0.003° |
| β | 85.81 ± 0.002° |
| γ | 71.445 ± 0.002° |
| Cell volume | 1177.65 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1226 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274849 (current) | 2022-05-03 | cif/ Adding structures of 8105119 via cif-deposit CGI script. |
8105119.cif |
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Users of the data should acknowledge the original authors of the
structural data.