Information card for entry 7159389

Structure parameters

• Formula: C10 H8 F3 N O
• Calculated formula: C10 H8 F3 N O
• Title of publication: A Cu-promoted reaction of β-keto trifluoromethyl amines enabling stereoselective synthesis of trifluoromethylated aziridines.
• Authors of publication: Wang, Nana; Du, Youlong; Mei, Haibo; Escorihuela, Jorge; Han, Jianlin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 4988 - 4992
• a: 5.5623 ± 0.0011 Å
• b: 18.321 ± 0.003 Å
• c: 9.2234 ± 0.0017 Å
• α: 90°
• β: 91.534 ± 0.016°
• γ: 90°
• Cell volume: 939.6 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0903
• Weighted residual factors for significantly intense reflections: 0.2458
• Weighted residual factors for all reflections included in the refinement: 0.2699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No