Information card for entry 7000187

Structure parameters

• Common name: Hepta-tert.butyl-tricyclo(7.3.3.1(5,11))heptasiloxane-ende- endo-3,7,14-triol
• Chemical name: Hepta-tert.butyl-tricyclo[7.3.3.1(5,11)]heptasiloxane-ende-endo-3,7,14-triol
• Formula: C28 H66 O12 Si7
• Calculated formula: C28 H66 O12 Si7
• SMILES: C([Si]12O[Si]3(O[Si](O[Si](O1)(O[Si](O[Si](O2)(O[Si](O3)(O)C(C)(C)C)C(C)(C)C)(O)C(C)(C)C)C(C)(C)C)(O)C(C)(C)C)C(C)(C)C)(C)(C)C
• Title of publication: Formation and hydrogen bonding of a novel POSS-trisilanol
• Authors of publication: Spirk, Stefan; Nieger, Martin; Belaj, Ferdinand; Pietschnig, Rudolf
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 163 - 167
• a: 13.2424 ± 0.0015 Å
• b: 13.2424 ± 0.0015 Å
• c: 90.514 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13746 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No