Information card for entry 2214232

Structure parameters

• Chemical name: 4,5,6,7-Tetrachloro-2-(2-nitrophenyl)isoindoline-1,3-dione
• Formula: C14 H4 Cl4 N2 O4
• Calculated formula: C14 H4 Cl4 N2 O4
• SMILES: C1(=O)c2c(c(c(c(c2C(=O)N1c1c(cccc1)N(=O)=O)Cl)Cl)Cl)Cl
• Title of publication: 4,5,6,7-Tetrachloro-2-(2-nitrophenyl)isoindoline-1,3-dione
• 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: o3331 - o3331
• a: 7.4616 ± 0.0013 Å
• b: 8.822 ± 0.0016 Å
• c: 13.137 ± 0.002 Å
• α: 96.634 ± 0.002°
• β: 100.513 ± 0.002°
• γ: 113.368 ± 0.002°
• Cell volume: 763.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes