Information card for entry 7124468

Structure parameters

• Common name: Tetrabromophenylethene
• Formula: C34 H32 Br4 O2
• Calculated formula: C34 H32 Br4 O2
• Title of publication: Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism
• Authors of publication: Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.3392 ± 0.0007 Å
• b: 15.1764 ± 0.0014 Å
• c: 21.938 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3109.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No