Information card for entry 7000186

Structure parameters

• Common name: Hexa-ter.butyl-tetracyclo(5.5.1.1(3,11).1(5,9))hexasiloxane
• Chemical name: Hexa-ter.butyl-tetracyclo[5.5.1.1(3,11).1(5,9)]hexasiloxane
• Formula: C24 H54 O9 Si6
• Calculated formula: C24 H54 O9 Si6
• SMILES: [Si]12(O[Si]3(O[Si](O1)(O[Si]1(O[Si](O[Si](O1)(O2)C(C)(C)C)(O3)C(C)(C)C)C(C)(C)C)C(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: 11.935 ± 0.002 Å
• b: 18.912 ± 0.004 Å
• c: 16.722 ± 0.003 Å
• α: 90°
• β: 107.37 ± 0.02°
• γ: 90°
• Cell volume: 3602.3 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No