Information card for entry 4084891

Structure parameters

• Chemical name: octakis(1,1-dimethylpentyl)octasilsesquioxane
• Formula: C56 H120 O12 Si8
• Calculated formula: C56 H120 O12 Si8
• Title of publication: Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.
• Authors of publication: Hurkes, Natascha; Bruhn, Clemens; Belaj, Ferdinand; Pietschnig, Rudolf
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7299 - 7306
• a: 14.1192 ± 0.0009 Å
• b: 12.8237 ± 0.0005 Å
• c: 20.1991 ± 0.0012 Å
• α: 90°
• β: 97.065 ± 0.005°
• γ: 90°
• Cell volume: 3629.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No