Information card for entry 4123694

Structure parameters

• Formula: C16 H25 B N O3.5
• Calculated formula: C16 H25 B N O3.5
• Title of publication: Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.
• Authors of publication: Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 21
• Pages of publication: 6746 - 6749
• a: 9.5606 ± 0.0014 Å
• b: 9.5606 ± 0.0014 Å
• c: 37.597 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3436.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No