Information card for entry 4123693

Structure parameters

• Formula: C26 H35 B F4 O5 P Rh
• Calculated formula: C26 H35 B F4 O5 P Rh
• SMILES: [Rh]123([P@@]4(COc5cccc(c45)c4c(OC)cccc4OC)C(C)(C)C)([OH2])[CH]4=[CH]1C1[CH]3=[CH]2C4C1.[B](F)(F)(F)[F-].O
• 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: 10.2826 ± 0.0009 Å
• b: 8.166 ± 0.0007 Å
• c: 16.8783 ± 0.0015 Å
• α: 90°
• β: 105.643 ± 0.002°
• γ: 90°
• Cell volume: 1364.7 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No