Information card for entry 4134038

Structure parameters

• Formula: C13 H16 F3 N O2
• Calculated formula: C13 H16 F3 N O2
• Title of publication: 1,2-Amino Alcohols via Cr/Photoredox Dual Catalyzed Addition of α-Amino Carbanion Equivalents to Carbonyls.
• Authors of publication: Schwarz, Jonas Luca; Kleinmans, Roman; Paulisch, Tiffany; Glorius, Frank
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.623 ± 0.004 Å
• b: 5.831 ± 0.002 Å
• c: 21.553 ± 0.008 Å
• α: 90°
• β: 98.576 ± 0.012°
• γ: 90°
• Cell volume: 1320.1 ± 0.8 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 5
• 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: 0.1328
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No