Information card for entry 7236966

Structure parameters

• Chemical name: 2,7-bis(1,2,2-triphenylvinyl)-fluoren-9-one
• Formula: C56 H45 O2.75
• Calculated formula: C56 H45 O2.75
• 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: 12.1439 ± 0.0005 Å
• b: 9.0734 ± 0.0003 Å
• c: 37.6521 ± 0.0014 Å
• α: 90°
• β: 90.014 ± 0.002°
• γ: 90°
• Cell volume: 4148.8 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No