Information card for entry 7236963

Structure parameters

• Chemical name: 2-(bis(4-(1,2,2-triphenylvinyl)phenyl)methylene)malononitrile
• Formula: C56 H38 N2
• Calculated formula: C56 H38 N2
• 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: 14.0044 ± 0.0003 Å
• b: 12.8632 ± 0.0003 Å
• c: 22.7228 ± 0.0005 Å
• α: 90°
• β: 92.288 ± 0.001°
• γ: 90°
• Cell volume: 4090.05 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No