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Information card for entry 8106625
Preview
| Coordinates | 8106625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H22 N2 O3 |
|---|---|
| Calculated formula | C17 H22 N2 O3 |
| Title of publication | Crystal structure of 3-(2-(4-isobutylphenyl)propanoyl)-1-methylimidazolidine-2,4-dione, C17H22N2O3 |
| Authors of publication | Wang, Shi-Han; Jin, Xiang-Qun; Wang, Yan-Wei; Wang, Yong-Sheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 633 - 635 |
| a | 18.419 ± 0.004 Å |
| b | 5.7524 ± 0.0012 Å |
| c | 17.575 ± 0.004 Å |
| α | 90° |
| β | 117.267 ± 0.003° |
| γ | 90° |
| Cell volume | 1655.2 ± 0.6 Å3 |
| Cell temperature | 187 ± 2 K |
| Ambient diffraction temperature | 187 ± 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 | 0.1158 |
| Residual factor for significantly intense reflections | 0.0724 |
| Weighted residual factors for significantly intense reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.1899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280669 (current) | 2023-01-30 | cif/ Adding structures of 8106625 via cif-deposit CGI script. |
8106625.cif |
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Users of the data should acknowledge the original authors of the
structural data.