Information card for entry 4084888

Structure parameters

• Chemical name: octakis(tert-butyl)octasilsesquioxane
• Formula: C32 H72 O12 Si8
• Calculated formula: C32 H72 O12 Si8
• SMILES: C(C)(C)(C)[Si]12O[Si]3(C(C)(C)C)O[Si]4(C(C)(C)C)O[Si](O2)(O[Si]2(C(C)(C)C)O[Si](C(C)(C)C)(O[Si](O3)(O[Si](O1)(C(C)(C)C)O2)C(C)(C)C)O4)C(C)(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: 10.7426 ± 0.0014 Å
• b: 11.0102 ± 0.0013 Å
• c: 11.864 ± 0.0014 Å
• α: 111.291 ± 0.009°
• β: 72.229 ± 0.009°
• γ: 94.686 ± 0.01°
• Cell volume: 1244.4 ± 0.3 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: 0.0534
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No