Information card for entry 4117976

Structure parameters

• Formula: C20 H18 F3 N O
• Calculated formula: C20 H18 F3 N O
• Title of publication: Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones
• Authors of publication: Aakarsh Saxena; Bonnie Choi; Hon Wai Lam
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8428 - 8431
• a: 24.3724 ± 0.0003 Å
• b: 5.7222 ± 0.0001 Å
• c: 24.8875 ± 0.0004 Å
• α: 90°
• β: 104.722 ± 0.002°
• γ: 90°
• Cell volume: 3356.96 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No