Information card for entry 7154926

Structure parameters

• Chemical name: (1R,2R)-2-(4-phenylpiperidin-1-yl)-1,2-dihydronaphthalen-1-ol
• Formula: C20 H22 N2 O
• Calculated formula: C20 H22 N2 O
• SMILES: O[C@H]1[C@H](N2CCN(c3ccccc3)CC2)C=Cc2c1cccc2
• Title of publication: Rhodium-catalyzed asymmetric ring opening reaction of oxabenzonorbornadienes with amines using ZnI2 as the activator.
• Authors of publication: Xu, Xin; Chen, Jingchao; He, Zhenxiu; Zhou, Yongyun; Fan, Baomin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2480 - 2486
• a: 6.3758 ± 0.0002 Å
• b: 10.5378 ± 0.0004 Å
• c: 23.8709 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1603.81 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No