Information card for entry 7203421

Structure parameters

• Formula: C30 H26 O2 Si
• Calculated formula: C30 H26 O2 Si
• Title of publication: Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene
• Authors of publication: Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 3814
• a: 27.005 ± 0.007 Å
• b: 16.153 ± 0.007 Å
• c: 16.336 ± 0.005 Å
• α: 90°
• β: 93.294 ± 0.01°
• γ: 90°
• Cell volume: 7114 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No