Information card for entry 1554229

Structure parameters

• Formula: C26 H16 I4
• Calculated formula: C26 H16 I4
• SMILES: Ic1ccc(cc1)C(=C(c1ccc(I)cc1)c1ccc(I)cc1)c1ccc(I)cc1
• Title of publication: Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens
• Authors of publication: Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2263
• a: 9.8155 ± 0.0002 Å
• b: 15.6764 ± 0.0002 Å
• c: 22.6588 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3486.55 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0623
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No