Information card for entry 4102215

Structure parameters

• Formula: C7 H21 B11 Cl6 Si
• Calculated formula: C7 H21 B11 Cl6 Si
• Title of publication: Hydrodefluorination and Other Hydrodehalogenation of Aliphatic Carbon-Halogen Bonds Using Silylium Catalysis
• Authors of publication: Christos Douvris; C. M. Nagaraja; Chun-Hsing Chen; Bruce M. Foxman; Oleg V. Ozerov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4946 - 4953
• a: 7.5885 ± 0.0004 Å
• b: 15.7841 ± 0.001 Å
• c: 18.8905 ± 0.0011 Å
• α: 109.622 ± 0.004°
• β: 96.022 ± 0.004°
• γ: 92.315 ± 0.004°
• Cell volume: 2112.6 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No