Information card for entry 4081227

Structure parameters

• Chemical name: Dodecamethyl-4-trimethylsilylbicyclo[2,2,2]octasilanyl-1-carboxylic acid
• Formula: C19 H54 O3 Si9
• Calculated formula: C19 H54 O3 Si9
• SMILES: [Si]12([Si]([Si]([Si]([Si]([Si]2(C)C)(C)C)([Si]([Si]1(C)C)(C)C)C(=O)O)(C)C)(C)C)[Si](C)(C)C.C(C)(O)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: 9.7433 ± 0.0014 Å
• b: 10.3424 ± 0.0014 Å
• c: 22.04 ± 0.003 Å
• α: 66.895 ± 0.007°
• β: 90.051 ± 0.007°
• γ: 65.335 ± 0.008°
• Cell volume: 1820.1 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No