Information card for entry 7153641

Structure parameters

• Formula: C15 H25 B O4 Si
• Calculated formula: C15 H25 B O4 Si
• SMILES: [Si](OCC1(COB(OC1)c1ccc(OC)cc1)C)(C)(C)C
• Title of publication: Silyl-protected dioxaborinanes: application in the Suzuki cross-coupling reaction.
• Authors of publication: Goggins, Sean; Rosevere, Eleanor; Bellini, Clément; Allen, Joseph C.; Marsh, Barrie J.; Mahon, Mary F.; Frost, Christopher G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 47 - 52
• a: 12.5 ± 0.0004 Å
• b: 12.661 ± 0.0003 Å
• c: 22.056 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3490.64 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No