Information card for entry 7158821

Structure parameters

• Formula: C14 H16 F N O4
• Calculated formula: C14 H16 F N O4
• Title of publication: Metal-free aminofluorination of α-diazo 2H-benzopyran-4-one: Convenient access to β-fluoramides
• Authors of publication: Zhang, Wentao; Sun, Minghao; You, Kejia; Pang, Yunfei; Ma, Baochun
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 11.6384 ± 0.0006 Å
• b: 10.1354 ± 0.0004 Å
• c: 23.754 ± 0.0013 Å
• α: 90°
• β: 93.521 ± 0.005°
• γ: 90°
• Cell volume: 2796.7 ± 0.2 ų
• Cell temperature: 293.23 ± 0.1 K
• Ambient diffraction temperature: 293.23 ± 0.1 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: 0.1374
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No