Information card for entry 2205699

Structure parameters

• Chemical name: 4-(4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl)benzaldehyde
• Formula: C15 H5 Cl4 N O3
• Calculated formula: C15 H5 Cl4 N O3
• SMILES: Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1ccc(cc1)C=O
• Title of publication: 4-(4,5,6,7-Tetrachloro-1,3-dioxoisoindolin-2-yl)benzaldehyde
• Authors of publication: Liu, Xin-Gang; Feng, Ya-Qing; Wang, Wei; Liang, Zu-Pei; Yang, Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1316 - o1317
• a: 12.6686 ± 0.001 Å
• b: 8.9057 ± 0.0007 Å
• c: 13.44 ± 0.0011 Å
• α: 90°
• β: 91.737 ± 0.001°
• γ: 90°
• Cell volume: 1515.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes