Information card for entry 4129092

Structure parameters

• Formula: C27 H25 Cl F3 N3 O3
• Calculated formula: C27 H25 Cl F3 N3 O3
• Title of publication: Catalytic Enantioselective Pyridine N-Oxidation.
• Authors of publication: Hsieh, Sheng-Ying; Tang, Y. U.; Crotti, Simone; Stone, Elizabeth; Miller, Scott J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 13.6637 ± 0.0002 Å
• b: 13.6637 ± 0.0002 Å
• c: 22.893 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3701.43 ± 0.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No