Information card for entry 4081226

Structure parameters

• Chemical name: 1-Methylcarboxy-4-(trimethylsilyl)dodecamethylbicyclo[2.2.2]octasilane
• Formula: C17 H48 O2 Si9
• Calculated formula: C17 H48 O2 Si9
• SMILES: [Si]1([Si]2([Si]([Si]([Si]([Si]([Si]2(C)C)(C)C)([Si]1(C)C)C(=O)OC)(C)C)(C)C)[Si](C)(C)C)(C)C
• Title of publication: Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.
• Authors of publication: Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4490 - 4500
• a: 17.32 ± 0.017 Å
• b: 10.787 ± 0.011 Å
• c: 18.2 ± 0.019 Å
• α: 90°
• β: 105.76 ± 0.02°
• γ: 90°
• Cell volume: 3272 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No