Information card for entry 7124467

Structure parameters

• Formula: C26 H16 F4
• Calculated formula: C26 H16 F4
• 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: 18.5763 ± 0.001 Å
• b: 40.241 ± 0.002 Å
• c: 5.6042 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4189.3 ± 0.4 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No