Information card for entry 4129091

Structure parameters

• Formula: C23 H21 F3 N4 O3
• Calculated formula: C23 H21 F3 N4 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: 8.4638 ± 0.0004 Å
• b: 11.0323 ± 0.0005 Å
• c: 11.3821 ± 0.0006 Å
• α: 93.398 ± 0.004°
• β: 91.354 ± 0.004°
• γ: 90.017 ± 0.004°
• Cell volume: 1060.64 ± 0.09 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No