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Information card for entry 2214514
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| Coordinates | 2214514.cif |
|---|---|
| Structure factors | 2214514.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4,5,6,7-Tetrachloro-2-phenylisoindoline-1,3-dione |
|---|---|
| Formula | C14 H5 Cl4 N O2 |
| Calculated formula | C14 H5 Cl4 N O2 |
| SMILES | C1(=O)c2c(c(c(c(c2C(=O)N1c1ccccc1)Cl)Cl)Cl)Cl |
| Title of publication | 4,5,6,7-Tetrachloro-2-phenylisoindoline-1,3-dione |
| Authors of publication | Li, Jian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3515 - o3515 |
| a | 16.854 ± 0.005 Å |
| b | 6.78 ± 0.002 Å |
| c | 24.749 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2828.1 ± 1.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0499 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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