Information card for entry 4120742

Structure parameters

• Formula: C19 H23 N O2
• Calculated formula: C19 H23 N O2
• SMILES: O(C)c1ccc(cc1)[C@H]1N[C@H](CCC1)c1ccc(OC)cc1
• Title of publication: Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines
• Authors of publication: Yongbing Liu; Haifeng Du
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12968 - 12971
• a: 7.5855 ± 0.0007 Å
• b: 8.6501 ± 0.001 Å
• c: 25.042 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1643.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No