Information card for entry 1542561

Structure parameters

• Common name: lizhen-3
• Chemical name: THPE
• Formula: C50 H68 O4
• Calculated formula: C50 H68 O4
• SMILES: O(CCCCCC)c1ccc(cc1)/C(=C(/c1ccc(OCCCCCC)cc1)c1ccc(OCCCCCC)cc1)c1ccc(OCCCCCC)cc1
• Title of publication: A stable tetraphenylethene derivative: aggregation-induced emission, different crystalline polymorphs, and totally different mechanoluminescence properties
• Authors of publication: Wang, Can; Xu, Bingjia; Li, Mengshu; Chi, Zhenguo; Xie, Yujun; Li, Qianqian; Li, Zhen
• Journal of publication: Mater. Horiz.
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 220
• a: 9.1934 ± 0.0004 Å
• b: 13.5122 ± 0.0005 Å
• c: 18.2252 ± 0.0009 Å
• α: 76.83 ± 0.004°
• β: 75.995 ± 0.004°
• γ: 86.625 ± 0.003°
• Cell volume: 2138.9 ± 0.17 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: 0.0957
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2591
• Weighted residual factors for all reflections included in the refinement: 0.2673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No