Information card for entry 4134167

Structure parameters

• Formula: C28 H31 B3 N4 O2
• Calculated formula: C28 H31 B3 N4 O2
• SMILES: [C@@H](CB1Nc2cccc3cccc(c23)N1)(B1OC(C)(C)C(C)(C)O1)B1Nc2cccc3cccc(c23)N1
• Title of publication: A Boron Activating Effect Enables Cobalt-Catalyzed Asymmetric Hydrogenation of Sterically Hindered Alkenes.
• Authors of publication: Viereck, Peter; Krautwald, Simon; Pabst, Tyler P.; Chirik, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 8
• Pages of publication: 3923 - 3930
• a: 12.8184 ± 0.0005 Å
• b: 14.4126 ± 0.0006 Å
• c: 13.8468 ± 0.0005 Å
• α: 90°
• β: 98.915 ± 0.001°
• γ: 90°
• Cell volume: 2527.24 ± 0.17 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: 0.0467
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No