Information card for entry 4082636

Structure parameters

• Formula: C29 H70 O2 Si9
• Calculated formula: C29 H70 O2 Si9
• SMILES: [Si@]1([C@@H](O[Si]([Si]([Si]([Si]([Si]1(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)C12CC3CC(C1)CC(C2)C3)(OC)[Si](C)(C)C.[Si@@]1([C@H](O[Si]([Si]([Si]([Si]([Si]1(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)C12CC3CC(C1)CC(C2)C3)(OC)[Si](C)(C)C
• Title of publication: Photoinduced Brook-Type Rearrangement of Acylcyclopolysilanes.
• Authors of publication: Stueger, Harald; Hasken, Bernd; Haas, Michael; Rausch, Martin; Fischer, Roland; Torvisco, Ana
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 231 - 239
• a: 10.3156 ± 0.0004 Å
• b: 11.6125 ± 0.0005 Å
• c: 19.9069 ± 0.0007 Å
• α: 84.182 ± 0.002°
• β: 75.753 ± 0.002°
• γ: 67.731 ± 0.001°
• Cell volume: 2138.83 ± 0.15 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: 0.0642
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No