Information card for entry 1545489

Structure parameters

• Chemical name: 1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene
• Formula: C9 H3 Cl9
• Calculated formula: C9 H3 Cl9
• SMILES: ClC(Cl)c1c(Cl)c(c(Cl)c(c1Cl)C(Cl)Cl)C(Cl)Cl
• Title of publication: 1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene
• Authors of publication: Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170227
• a: 9.5435 ± 0.0002 Å
• b: 9.5435 ± 0.0002 Å
• c: 15.9424 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.01 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes