Information card for entry 4032755

Structure parameters

• Formula: C14.88 H14.76 F3 N2 O3
• Calculated formula: C14.879 H14.748 F3 N2 O3
• SMILES: N(=O)(=C1\c2c(NC1=O)ccc(c2)OC(F)(F)F)/C=C/CCCC
• Title of publication: Copper-Catalyzed Selective N-Vinylation of 3-(Hydroxyimino)indolin-2-ones with Alkenyl Boronic Acids: Synthesis of N-Vinyl Nitrones and Spirooxindoles.
• Authors of publication: Chen, Chun-Hua; Liu, Qing-Qing; Ma, Xiao-Pan; Feng, Yu; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 12
• Pages of publication: 6417 - 6425
• a: 5.158 ± 0.004 Å
• b: 9.565 ± 0.007 Å
• c: 16.058 ± 0.011 Å
• α: 87.872 ± 0.011°
• β: 87.558 ± 0.011°
• γ: 83.708 ± 0.012°
• Cell volume: 786.3 ± 1 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0976
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2952
• Weighted residual factors for all reflections included in the refinement: 0.3103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.358
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No