Information card for entry 7111605

Structure parameters

• Common name: 1,2,4,4,5,6,6,8,9,11,11-Undecamethyl-2,8,10-tris(1?,2?,2?,2?- tetramethyl-1?-trimethylsilyl-disilanyl)-3,7,10-trioxa-1,2,4,5,6,8,9,11- octasila-bicyclo(3.3.3)undecane
• Chemical name: 1,2,4,4,5,6,6,8,9,11,11-Undecamethyl-2,8,10- tris[1?,2?,2?,2?-tetramethyl-1?-trimethylsilyl-disilanyl]- 3,7,10-trioxa-1,2,4,5,6,8,9,11-octasila- bicyclo[3.3.3]undecane
• Formula: C32 H96 O3 Si17
• Calculated formula: C32 H96 O3 Si17
• SMILES: [Si]([Si]([Si@]1([Si]2([Si@]([Si]([Si](C)(C)C)([Si](C)(C)C)C)(O[Si]([Si]([Si](O1)(C)C)([Si](O[Si@]2([Si]([Si](C)(C)C)([Si](C)(C)C)C)C)(C)C)C)(C)C)C)C)C)([Si](C)(C)C)C)(C)(C)C.[Si]([Si]([Si@@]1([Si]2([Si@@]([Si]([Si](C)(C)C)([Si](C)(C)C)C)(O[Si]([Si]([Si](O1)(C)C)([Si](O[Si@@]2([Si]([Si](C)(C)C)([Si](C)(C)C)C)C)(C)C)C)(C)C)C)C)C)([Si](C)(C)C)C)(C)(C)C
• Title of publication: Discrete oxygen containing oligosilane dendrimers—modelling oxygen defects in silicon nanomaterials
• Authors of publication: Jäger-Fiedler, U.; Köckerling, M.; Reinke, H.; Krempner, C.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4535 - 4537
• a: 14.71 ± 0.001 Å
• b: 22.175 ± 0.001 Å
• c: 20.42 ± 0.001 Å
• α: 90°
• β: 91.4 ± 0.001°
• γ: 90°
• Cell volume: 6658.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0992
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No