Information card for entry 7160944

Structure parameters

• Formula: C30 H34 F8 N2 O2 S2
• Calculated formula: C30 H34 F8 N2 O2 S2
• 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: 11.061 ± 0.0007 Å
• b: 12.0662 ± 0.0008 Å
• c: 15.1287 ± 0.0009 Å
• α: 74.955 ± 0.005°
• β: 69.286 ± 0.006°
• γ: 63.657 ± 0.006°
• Cell volume: 1679.8 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No