Information card for entry 7236484

Structure parameters

• Formula: C56 H40 S
• Calculated formula: C56 H40 S
• Title of publication: The effect of different binding sites on the optical and electronic properties of tetraphenylethylene-substituted thiophene isomers
• Authors of publication: Li, Jinyu; Shan, Tong; Yao, Mingming; Gao, Yu; Han, Xiao; Yang, Bing; Lu, Ping
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 2552
• a: 11.335 ± 0.002 Å
• b: 11.899 ± 0.002 Å
• c: 16.207 ± 0.003 Å
• α: 78.13 ± 0.03°
• β: 76.41 ± 0.03°
• γ: 86.87 ± 0.03°
• Cell volume: 2079.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1138
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No