Information card for entry 7119043

Structure parameters

• Formula: C20 H14 F4 N2 O2
• Calculated formula: C20 H14 F4 N2 O2
• SMILES: FC(=C1\C(=O)N(c2ccccc12)C)\C1(C(=O)N(c2ccccc12)C)C(F)(F)F
• Title of publication: Synthesis of 3-fluoroalkenyl-3-trifluoromethyl-2-oxindoles by the reaction of indoline-2,3-diones with difluoromethylene phosphabetaine
• Authors of publication: Yingle Liu; Ke Zhang; Yangen Huang; Shen Pan; Xiao-Qiang Liu; Yi Yang; Yan Jiang; Xiu-Hua Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 5969
• a: 11.228 ± 0.002 Å
• b: 12.46 ± 0.003 Å
• c: 12.943 ± 0.003 Å
• α: 77.35 ± 0.03°
• β: 89.67 ± 0.03°
• γ: 86.39 ± 0.03°
• Cell volume: 1763.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0523
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No