Information card for entry 7124470

Structure parameters

• Formula: C26 H16 Cl4
• Calculated formula: C26 H16 Cl4
• 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: 20.1695 ± 0.001 Å
• b: 9.8843 ± 0.0005 Å
• c: 23.3874 ± 0.0011 Å
• α: 90°
• β: 92.701 ± 0.002°
• γ: 90°
• Cell volume: 4657.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.32 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No