Information card for entry 7236961

Structure parameters

• Chemical name: 2-(2,7-Bis(1,2,2-triphenylvinyl)-fluoren-9-ylidene)malononitrile
• Formula: C56 H36 N2
• Calculated formula: C56 H36 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: 18.8041 ± 0.0006 Å
• b: 12.7049 ± 0.0004 Å
• c: 19.0559 ± 0.0007 Å
• α: 90°
• β: 112.425 ± 0.001°
• γ: 90°
• Cell volume: 4208.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No