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Information card for entry 8106886
Preview
Coordinates | 8106886.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-dione |
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Chemical name | 2-(4-acetyl-2,6-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-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-dimethylphenyl)-5,6-dichloro-1H-isoindole-1,3(2H)-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 | 2 |
Pages of publication | 399 - 401 |
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 |
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