Information card for entry 7129885

Structure parameters

• Formula: C22 H14 F3 N O
• Calculated formula: C22 H14 F3 N O
• Title of publication: Access to 5-Fluoroalkylated Trisubstituted Oxazoles via Copper-Catalyzed Cyclization of α-Fluoroalkyl-α-diazoketones with Amides
• Authors of publication: Jiang, Di; Jia, Jingpei; Wang, Baiquan; Li, Bin
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.3924 ± 0.0004 Å
• b: 9.763 ± 0.0004 Å
• c: 19.6787 ± 0.0007 Å
• α: 92.407 ± 0.003°
• β: 98.52 ± 0.003°
• γ: 108.808 ± 0.004°
• Cell volume: 1681.51 ± 0.12 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No