Information card for entry 4084890

Structure parameters

• Chemical name: octakis(1,1-dimethylbutyl)octasilsesquioxane
• Formula: C48 H104 O12 Si8
• Calculated formula: C48 H104 O12 Si8
• SMILES: O1[Si]2(O[Si]3(O[Si]4(O[Si]1(O[Si]1(O[Si](O2)(O[Si](O[Si](O1)(O4)C(CCC)(C)C)(O3)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C)C(CCC)(C)C
• 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: 10.8944 ± 0.0004 Å
• b: 12.6042 ± 0.0004 Å
• c: 13.4936 ± 0.0005 Å
• α: 68.8952 ± 0.0011°
• β: 87.8745 ± 0.0012°
• γ: 66.4831 ± 0.0011°
• Cell volume: 1572.67 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No