Information card for entry 4117962

Structure parameters

• Formula: C20 H21 Br F3 N O3
• Calculated formula: C20 H21 Br F3 N O3
• Title of publication: Rhodium-Catalyzed Dynamic Kinetic Asymmetric Transformations of Racemic Tertiary Allylic Trichloroacetimidates with Anilines
• Authors of publication: Jeffrey S. Arnold; Hien M. Nguyen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8380 - 8383
• a: 11.7144 ± 0.0012 Å
• b: 8.8267 ± 0.001 Å
• c: 20.144 ± 0.003 Å
• α: 90°
• β: 101.94 ± 0.005°
• γ: 90°
• Cell volume: 2037.8 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No