Information card for entry 7236964

Structure parameters

• Chemical name: bis(4-(1,2,2-triphenylvinyl)phenyl)methanone
• Formula: C53 H38 O
• Calculated formula: C53 H38 O
• Title of publication: Triphenylethylenyl-based donor‒acceptor‒donor molecules: studies on structural and optical properties and AIE properties for cyanide detection
• Authors of publication: Chua, Ming Hui; Zhou, Hui; Lin, Ting Ting; Wu, Jishan; Xu, Jianwei
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 46
• Pages of publication: 12194
• a: 10.7918 ± 0.0004 Å
• b: 10.8195 ± 0.0004 Å
• c: 17.2771 ± 0.0006 Å
• α: 76.359 ± 0.001°
• β: 81.029 ± 0.001°
• γ: 74.809 ± 0.001°
• Cell volume: 1882.35 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No