Information card for entry 7230582

Structure parameters

• Formula: C20 H16 F3 N
• Calculated formula: C20 H16 F3 N
• Title of publication: Iron(iii)-catalyzed selective N‒O bond cleavage to prepare tetrasubstituted pyridines and 3,5-disubstituted isoxazolines from N-vinyl-α,β-unsaturated ketonitrones
• Authors of publication: Chen, Chun-Hua; Wu, Qing-Yan; Wei, Cui; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 2722
• a: 8.585 ± 0.0015 Å
• b: 9.869 ± 0.0017 Å
• c: 10.0994 ± 0.0017 Å
• α: 91.079 ± 0.003°
• β: 103.819 ± 0.003°
• γ: 90.728 ± 0.003°
• Cell volume: 830.6 ± 0.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.3948
• Weighted residual factors for all reflections included in the refinement: 0.4283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No