Information card for entry 2227278

Structure parameters

• Chemical name: 4,5,6,7-Tetrachloro-<i>N</i>-(2-fluorophenyl)phthalimide
• Formula: C14 H4 Cl4 F N O2
• Calculated formula: C14 H4 Cl4 F N O2
• SMILES: Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1ccccc1F
• Title of publication: 4,5,6,7-Tetrachloro-<i>N</i>-(2-fluorophenyl)phthalimide
• Authors of publication: Fu, Xian-Shu; Yu, Xiao-Ping; Wang, Wei-Min; Lin, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2432
• a: 12.032 ± 0.002 Å
• b: 13.393 ± 0.003 Å
• c: 8.7244 ± 0.0017 Å
• α: 90°
• β: 95.33 ± 0.03°
• γ: 90°
• Cell volume: 1399.8 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes