Information card for entry 1502783

Structure parameters

• Formula: C50 H62 Si3
• Calculated formula: C50 H62 Si3
• SMILES: [Si]1(C(=C(C(=C1c1ccc(cc1)C#C[Si](C)(C)C)c1ccccc1)c1ccccc1)c1ccc(cc1)C#C[Si](C)(C)C)(CCCCCC)CCCCCC
• Title of publication: Hyperbranched Conjugated Polysiloles: Synthesis, Structure, Aggregation-Enhanced Emission, Multicolor Fluorescent Photopatterning, and Superamplified Detection of Explosives
• Authors of publication: Liu, Jianzhao; Zhong, Yongchun; Lam, Jacky W. Y.; Lu, Ping; Hong, Yuning; Yu, Yong; Yue, Yanan; Faisal, Mahtab; Sung, Herman H. Y.; Williams, Ian D.; Wong, Kam Sing; Tang, Ben Zhong
• Journal of publication: Macromolecules
• Year of publication: 2010
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4921
• a: 12.4453 ± 0.0004 Å
• b: 13.3899 ± 0.0004 Å
• c: 16.7988 ± 0.0005 Å
• α: 107.042 ± 0.003°
• β: 91.713 ± 0.003°
• γ: 115.539 ± 0.003°
• Cell volume: 2375 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No