Information card for entry 7129886

Structure parameters

• Formula: C20 H22 F3 N O2
• Calculated formula: C20 H22 F3 N O2
• SMILES: FC(F)(F)[C@@H]1OC(=N[C@@]1(O)C12CC3CC(CC(C1)C3)C2)c1ccccc1.FC(F)(F)[C@H]1OC(=N[C@]1(O)C12CC3CC(CC(C1)C3)C2)c1ccccc1
• 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: 19.3769 ± 0.0011 Å
• b: 12.2278 ± 0.0006 Å
• c: 17.2662 ± 0.001 Å
• α: 90°
• β: 99.188 ± 0.006°
• γ: 90°
• Cell volume: 4038.5 ± 0.4 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No