Information card for entry 4110626

Structure parameters

• Common name: TMS-Si3-Si3-TMS
• Chemical name: 11,11-dimethyl-1-(11',11'-dimethyl-6'- trimethylsilyl-1',6',11'-trisilabicyclo[4.4.1]undec- 1'-yl)-6-trimethylsilyl-1,6,11- trisilabicyclo[4.4.1]undecane
• Formula: C26 H62 Si8
• Calculated formula: C26 H62 Si8
• Title of publication: all-anti-Octasilane: Conformation Control of Silicon Chains Using the Bicyclic Trisilane as a Building Block
• Authors of publication: Aiko Fukazawa; Hayato Tsuji; Kohei Tamao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 6800 - 6801
• a: 8.2172 ± 0.0002 Å
• b: 12.7309 ± 0.0003 Å
• c: 17.5015 ± 0.0005 Å
• α: 90°
• β: 91.193 ± 0.002°
• γ: 90°
• Cell volume: 1830.48 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No