Information card for entry 7160946

Structure parameters

• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• Title of publication: Synthesis of α-trifluoromethyl-β-lactams <i>via</i> a copper-catalyzed Kinugasa reaction of nitrones with 3,3,3-trifluoropropyne and their defluorination.
• Authors of publication: Chen, Shouxiong; Yang, Peiqi; Hong, Biqiong; Yang, Fafu; Weng, Zhiqiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 1908 - 1914
• a: 7.8464 ± 0.0007 Å
• b: 21.4478 ± 0.0017 Å
• c: 11.1795 ± 0.001 Å
• α: 90°
• β: 105.5 ± 0.009°
• γ: 90°
• Cell volume: 1813 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1509
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.316
• Weighted residual factors for all reflections included in the refinement: 0.3549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No