Information card for entry 7215091

Structure parameters

• Formula: C31 H28 Br2 O Si
• Calculated formula: C31 H28 Br2 O Si
• SMILES: Brc1ccc(cc1)C1=C(c2ccccc2)C(=C([Si]1(C)C)c1ccc(Br)cc1)c1ccccc1.OC
• Title of publication: Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence
• Authors of publication: Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 38
• Pages of publication: 20266
• a: 20.6335 ± 0.0019 Å
• b: 14.6119 ± 0.0013 Å
• c: 9.6084 ± 0.0009 Å
• α: 90°
• β: 103.327 ± 0.002°
• γ: 90°
• Cell volume: 2818.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No