Information card for entry 4513825

Structure parameters

• Formula: C28 H33 B O2 Si
• Calculated formula: C28 H33 B O2 Si
• SMILES: [Si](c1ccccc1)(/C(=C(c1ccccc1)\B1OC(C(O1)(C)C)(C)C)c1ccccc1)(C)C
• Title of publication: (N-Heterocyclic Carbene)2-Pd(0)-Catalyzed Silaboration of Internal and Terminal Alkynes: Scope and Mechanistic Studies
• Authors of publication: Ansell, Melvyn B.; Spencer, John; Navarro, Oscar
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 2192
• a: 9.8337 ± 0.001 Å
• b: 11.7927 ± 0.001 Å
• c: 12.4336 ± 0.0011 Å
• α: 112.475 ± 0.008°
• β: 96.966 ± 0.008°
• γ: 104.18 ± 0.008°
• Cell volume: 1254 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No