Information card for entry 4120743

Structure parameters

• Formula: C24 H32 N2
• Calculated formula: C24 H32 N2
• SMILES: Cc1ccc(cc1)[C@@H]1CCC[C@@H](N1)[C@H]1N[C@@H](c2ccc(C)cc2)CCC1
• 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: 8.0673 ± 0.0013 Å
• b: 6.0026 ± 0.0007 Å
• c: 20.713 ± 0.003 Å
• α: 90°
• β: 95.849 ± 0.009°
• γ: 90°
• Cell volume: 997.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No