Information card for entry 2214236

Structure parameters

• Chemical name: 4,5,6,7-Tetrachloro-2-hydroxyisoindoline-1,3-dione N,N-dimethylformamide solvate
• Formula: C11 H8 Cl4 N2 O4
• Calculated formula: C11 H8 Cl4 N2 O4
• SMILES: C1(=O)c2c(c(c(c(c2C(=O)N1O)Cl)Cl)Cl)Cl.CN(C=O)C
• Title of publication: 4,5,6,7-Tetrachloro-2-hydroxyisoindoline-1,3-dione <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3333 - o3333
• a: 16.885 ± 0.002 Å
• b: 7.7823 ± 0.0011 Å
• c: 21.974 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2887.5 ± 0.7 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: 0.044
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes