Information card for entry 4505379

Structure parameters

• Common name: 1,3,5-tris(4-cyanobenzoyl)benzene
• Chemical name: 1,3,5-tris(4-cyanobenzoyl)benzene
• Formula: C32 H21 N3 O4 S
• Calculated formula: C32 H21 N3 O4 S
• Title of publication: Polymorphism and Pseudopolymorphism in the Triaroylbenzene Derivative 1,3,5-Tris(4-cyanobenzoyl)benzene
• Authors of publication: Kumar, V. S. Senthil; Pigge, F. Christopher; Rath, Nigam P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1217
• a: 8.849 ± 0.003 Å
• b: 11.27 ± 0.004 Å
• c: 14.816 ± 0.005 Å
• α: 90.586 ± 0.019°
• β: 84.037 ± 0.019°
• γ: 70.934 ± 0.018°
• Cell volume: 1387.4 ± 0.8 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 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: 0.1319
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2328
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No