Information card for entry 4505382

Structure parameters

• Common name: 1,3,5-tris(4-cyanobenzoyl)benzene
• Chemical name: 1,3,5-tris(4-cyanobenzoyl)benzene
• Formula: C32 H20 N4 O5
• Calculated formula: C32 H20 N4 O5
• 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: 11.397 ± 0.0002 Å
• b: 15.4588 ± 0.0003 Å
• c: 15.8555 ± 0.0003 Å
• α: 73.867 ± 0.001°
• β: 82.203 ± 0.001°
• γ: 88.405 ± 0.001°
• Cell volume: 2658.52 ± 0.09 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No