Information card for entry 7036439

Structure parameters

• Formula: C23 H30 B Br O2 Si
• Calculated formula: C23 H30 B Br O2 Si
• Title of publication: The carboboration of Me3Si-substituted alkynes and allenes with boranes and borocations.
• Authors of publication: Lawson, James R.; Fasano, Valerio; Cid, Jessica; Vitorica-Yrezabal, Inigo; Ingleson, Michael J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6060 - 6070
• a: 11.5585 ± 0.0007 Å
• b: 18.482 ± 0.0008 Å
• c: 12.0048 ± 0.0009 Å
• α: 90°
• β: 115.161 ± 0.008°
• γ: 90°
• Cell volume: 2321.2 ± 0.3 ų
• Cell temperature: 150.02 ± 0.1 K
• Ambient diffraction temperature: 150.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No