Information card for entry 4121722

Structure parameters

• Formula: C24 H27 B O3 Si
• Calculated formula: C24 H27 B O3 Si
• SMILES: [Si](c1ccccc1)(c1ccccc1)(c1ccccc1)OB1OC(C(O1)(C)C)(C)C
• Title of publication: Selective boryl silyl ether formation in the photoreaction of bisboryloxide/boroxine with hydrosilane catalyzed by a transition-metal carbonyl complex.
• Authors of publication: Ito, Masaki; Itazaki, Masumi; Nakazawa, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6183 - 6186
• a: 8.634 ± 0.002 Å
• b: 11.104 ± 0.002 Å
• c: 12.802 ± 0.002 Å
• α: 68.825 ± 0.008°
• β: 86.934 ± 0.012°
• γ: 87.821 ± 0.012°
• Cell volume: 1142.6 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0966
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No