Information card for entry 7236483

Structure parameters

• Formula: C56.5 H40.5 Cl1.5 S
• Calculated formula: C56.5 H40.5 Cl1.5 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: 9.4004 ± 0.0019 Å
• b: 11.442 ± 0.002 Å
• c: 21.172 ± 0.004 Å
• α: 82.07 ± 0.03°
• β: 84.57 ± 0.03°
• γ: 87.47 ± 0.03°
• Cell volume: 2244.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1313
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No