Information card for entry 2226740

Structure parameters

• Chemical name: 4,5,6,7-Tetrachloro-2-(4-fluorophenyl)isoindoline-1,3-dione
• Formula: C14 H4 Cl4 F N O2
• Calculated formula: C14 H4 Cl4 F N O2
• SMILES: Fc1ccc(cc1)N1C(=O)c2c(C1=O)c(Cl)c(c(c2Cl)Cl)Cl
• Title of publication: 4,5,6,7-Tetrachloro-2-(4-fluorophenyl)isoindoline-1,3-dione
• 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: 7
• Pages of publication: o1744
• a: 7.94 ± 0.0016 Å
• b: 5.6744 ± 0.0011 Å
• c: 29.461 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1327.4 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes