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Information card for entry 2244051
Preview
| Coordinates | 2244051.cif |
|---|---|
| Structure factors | 2244051.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7,7-Dimethyl-2-phenyl-3,3a,4,6,7,8,9,9a-octahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-1,5(2<i>H</i>)-dione |
|---|---|
| Formula | C20 H23 N O2 |
| Calculated formula | C20 H23 N O2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 7,7-dimethyl-2-phenyl-3,3a,4,6,7,8,9,9a-octahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-1,5(2<i>H</i>)-dione |
| Authors of publication | Cheng, Dong; Gao, Xinlei; Huang, Jiating; Meng, Xiang-Zhen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 4 |
| a | 5.7062 ± 0.0004 Å |
| b | 34.009 ± 0.003 Å |
| c | 8.5042 ± 0.0008 Å |
| α | 90° |
| β | 98.178 ± 0.007° |
| γ | 90° |
| Cell volume | 1633.6 ± 0.2 Å3 |
| Cell temperature | 199.99 ± 0.1 K |
| Ambient diffraction temperature | 199.99 ± 0.1 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 | 0.0846 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1426 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273640 (current) | 2022-03-11 | cif/ hkl/ Adding structures of 2244051 via cif-deposit CGI script. |
2244051.cif 2244051.hkl |
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Users of the data should acknowledge the original authors of the
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