Information card for entry 1555674

Structure parameters

• Formula: C17 H24 B Br O3
• Calculated formula: C17 H24 B Br O3
• Title of publication: Asymmetric Catalytic Enantio- and Diastereoselective Boron Conjugate Addition Reactions of α-Functionalized α,β-Unsaturated Carbonyl Substrates.
• Authors of publication: Xie, Jian-Bo; Lin, Siqi; Qiao, Shuo; Li, Guigen
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 3926 - 3929
• a: 10.203 ± 0.002 Å
• b: 12.287 ± 0.003 Å
• c: 14.177 ± 0.003 Å
• α: 90°
• β: 90.025 ± 0.003°
• γ: 90°
• Cell volume: 1777.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No