Information card for entry 1505754

Structure parameters

• Formula: C34 H22 F4
• Calculated formula: C34 H22 F4
• SMILES: Fc1cc(F)cc(c1)c1cc(/C=C\c2ccccc2)c(cc1/C=C\c1ccccc1)c1cc(F)cc(c1)F
• Title of publication: A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds.
• Authors of publication: Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 42
• Pages of publication: 20993 - 21000
• a: 8.0544 ± 0.0016 Å
• b: 8.7247 ± 0.0017 Å
• c: 10.764 ± 0.002 Å
• α: 67.07 ± 0.03°
• β: 88.05 ± 0.03°
• γ: 66.99 ± 0.03°
• Cell volume: 634.9 ± 0.3 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: 0.1018
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No