Information card for entry 4514839

Structure parameters

• Formula: C21 H26 B N O4 S
• Calculated formula: C21 H26 B N O4 S
• Title of publication: Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters
• Authors of publication: Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 8503
• a: 10.4319 ± 0.0004 Å
• b: 14.2343 ± 0.0005 Å
• c: 29.1953 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4335.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No