Information card for entry 2214514

Structure parameters

• 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 ų
• 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