Information card for entry 2234440

Structure parameters

• Common name: 1,3,5-Tri(chloroformyl)benzene
• Chemical name: Benzene-1,3,5-tricarbonyl trichloride
• Formula: C9 H3 Cl3 O3
• Calculated formula: C9 H3 Cl3 O3
• SMILES: c1(cc(cc(c1)C(=O)Cl)C(=O)Cl)C(=O)Cl
• Title of publication: Benzene-1,3,5-tricarbonyl trichloride
• Authors of publication: Fan, Xin; Wang, Yanrong; Jin, Chengzhi; Jin, Longfei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1260
• a: 6.023 ± 0.0013 Å
• b: 8.3306 ± 0.0018 Å
• c: 21.314 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1069.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes