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Information card for entry 8106810
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| Coordinates | 8106810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-(4-Acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione |
|---|---|
| Chemical name | 2-(4-Acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione |
| Formula | C18 H13 Cl2 N O3 |
| Calculated formula | C18 H13 Cl2 N O3 |
| Title of publication | Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C18H13Cl2NO3 |
| Authors of publication | Li, Feng-Cui; Shi, Qi-Lin; Zhou, Xiao-Hu; Ren, Yang; Xu, Hai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 149 - 151 |
| a | 13.6464 ± 0.0002 Å |
| b | 18.1592 ± 0.0003 Å |
| c | 13.9829 ± 0.0002 Å |
| α | 90° |
| β | 107.557 ± 0.001° |
| γ | 90° |
| Cell volume | 3303.66 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281241 (current) | 2023-03-02 | cif/ Adding structures of 8106810 via cif-deposit CGI script. |
8106810.cif |
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Users of the data should acknowledge the original authors of the
structural data.