Information card for entry 4105891

Structure parameters

• Formula: C20 H22 F3 N O2 S
• Calculated formula: C20 H22 F3 N O2 S
• Title of publication: Highly Diastereoselective Arylations of Substituted Piperidines
• Authors of publication: Stephanie Seel; Tobias Thaler; Keishi Takatsu; Cong Zhang; Hendrik Zipse; Bernd F. Straub; Peter Mayer; Paul Knochel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4774 - 4777
• a: 10.1552 ± 0.0005 Å
• b: 11.7039 ± 0.0005 Å
• c: 16.2918 ± 0.0008 Å
• α: 90°
• β: 98.366 ± 0.004°
• γ: 90°
• Cell volume: 1915.76 ± 0.16 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No