Information card for entry 4134878

Structure parameters

• Formula: C30 H32 B N O4
• Calculated formula: C30 H32 B N O4
• Title of publication: Stereodivergent Asymmetric Synthesis of α,β-Disubstituted β-Aminoalkylboronic Acid Derivatives via Group-Selective Protodeboronation Enabling Access to the Elusive Anti Isomer.
• Authors of publication: Li, Xiangyu; Hall, Dennis G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.8361 ± 0.0002 Å
• b: 21.0549 ± 0.0004 Å
• c: 13.1959 ± 0.0002 Å
• α: 90°
• β: 97.5578 ± 0.0009°
• γ: 90°
• Cell volume: 2709.1 ± 0.09 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No