Information card for entry 7109385

Structure parameters

• Chemical name: ((2S, 3S)-1-(4-methoxyphenyl)-2-(pyridin-4-yl)piperidin-3-yl)methanol
• Formula: C18 H22 N2 O2
• Calculated formula: C18 H22 N2 O2
• Title of publication: Highly enantioselective [4+2] annulation via organocatalytic Mannich-reductive cyclization: one-pot synthesis of functionalized piperidines
• Authors of publication: Indresh Kumar; Panduga Ramaraju; Nisar A. Mir; Deepika Singh; Vivek K. Gupta
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5645
• a: 9.1775 ± 0.0002 Å
• b: 10.7628 ± 0.0002 Å
• c: 16.9499 ± 0.0005 Å
• α: 90°
• β: 107.577 ± 0.002°
• γ: 90°
• Cell volume: 1596.07 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No