Information card for entry 7236965

Structure parameters

• Chemical name: 2,2'-(2,6-bis(1,2,2-triphenylvinyl)anthracene-9,10-diylidene)dimalononitrile
• Formula: C60 H36 N4
• Calculated formula: C60 H36 N4
• 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: 7.9503 ± 0.0004 Å
• b: 16.0571 ± 0.0006 Å
• c: 17.4515 ± 0.0007 Å
• α: 80.314 ± 0.002°
• β: 88.214 ± 0.002°
• γ: 84.116 ± 0.002°
• Cell volume: 2184.29 ± 0.16 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: 0.0836
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No