Information card for entry 4134166

Structure parameters

• Formula: C23 H32 B2 N2 O2
• Calculated formula: C23 H32 B2 N2 O2
• SMILES: [C@H](CC1CCCC1)(B1Nc2cccc3cccc(c23)N1)B1OC(C(C)(C)O1)(C)C
• 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: 9.9436 ± 0.0003 Å
• b: 10.0616 ± 0.0003 Å
• c: 33.1823 ± 0.001 Å
• α: 90°
• β: 94.971 ± 0.001°
• γ: 90°
• Cell volume: 3307.35 ± 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: 0.0483
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No