Information card for entry 4110072

Structure parameters

• Chemical name: 3-(1-Adamantyl)-1,1,2-tris(tri-tert-butylsilyl)- 1,2-disilacycloprop-2-ene
• Formula: C47 H96 Si5
• Calculated formula: C47 H96 Si5
• SMILES: [Si]1(=C([Si]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C12CC3CC(C1)CC(C2)C3)[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Air-Stable Disilacyclopropene with a SiC Bond and Its Conversion to Disilacyclopropenylium Ion: Silicon-Carbon Hybrid 2π-Electron Systems
• Authors of publication: Masayasu Igarashi; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12660 - 12661
• a: 13.901 ± 0.0002 Å
• b: 20.785 ± 0.0006 Å
• c: 35.331 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10208.3 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No