Information card for entry 4111650

Structure parameters

• Formula: C35 H28 Si
• Calculated formula: C35 H28 Si
• SMILES: [Si]1(C)(C(=C(c2ccccc2)C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Structures, Electronic States, Photoluminescence, and Carrier Transport Properties of 1,1-Disubstituted 2,3,4,5-Tetraphenylsiloles
• Authors of publication: Gui Yu; Shiwei Yin; Yunqi Liu; Jiangshan Chen; Xinjun Xu; Xiaobo Sun; Dongge Ma; Xiaowei Zhan; Qian Peng; Zhigang Shuai; Benzhong Tang; Daoben Zhu; Weihai Fang; Yi Luo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 6335 - 6346
• a: 10.189 ± 0.0003 Å
• b: 11.2713 ± 0.0006 Å
• c: 11.987 ± 0.0005 Å
• α: 88.827 ± 0.0004°
• β: 76.811 ± 0.003°
• γ: 88.576 ± 0.002°
• Cell volume: 1339.75 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No