Information card for entry 7204852

Structure parameters

• Common name: 1,3,5-tris(4-cholorobenzoyl)benzene
• Chemical name: 1,3,5-tris(4-cholorobenzoyl)benzene
• Formula: C27 H15 Cl3 O3
• Calculated formula: C27 H15 Cl3 O3
• SMILES: Clc1ccc(C(=O)c2cc(cc(c2)C(=O)c2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2)cc1
• Title of publication: Polymorphism in 1,3,5-triaroylbenzenes: structural characterization of concomitant polymorphs obtained from 1,3,5-tris(4-chlorobenzoyl)benzene
• Authors of publication: Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 102
• a: 10.4381 ± 0.0004 Å
• b: 9.0183 ± 0.0003 Å
• c: 48.0553 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4523.6 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No