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Information card for entry 8106426
Preview
| Coordinates | 8106426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | orthorhombic |
|---|---|
| Formula | C21 H24 N2 O3 |
| Calculated formula | C21 H24 N2 O3 |
| SMILES | c12ccccc1[C@@]13C(=C(C[C@]4([C@@H]1N(CC3)C[C@H]1[C@@H]4O1)CC)C(=O)OC)N2 |
| Title of publication | Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b1,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C21H24N2O3 |
| Authors of publication | Qiu, Rui-Xia; Li, Guo-Qiang; Chen, Hong-Ji; Wang, Lin; Wang, Chun-Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 43 - 45 |
| a | 9.7186 ± 0.0012 Å |
| b | 13.4479 ± 0.0016 Å |
| c | 13.6679 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1786.3 ± 0.4 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0393 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280220 (current) | 2023-01-06 | cif/ Adding structures of 8106426 via cif-deposit CGI script. |
8106426.cif |
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Users of the data should acknowledge the original authors of the
structural data.