Information card for entry 4032305

Structure parameters

• Chemical name: (Z)-N-Benzyl-3-(fluoro(hydroxyimino)methyl)-2-oxoindolin-3-yl benzoate
• Formula: C23 H17 F N2 O4
• Calculated formula: C23 H17 F N2 O4
• SMILES: FC(=N\O)/C1(OC(=O)c2ccccc2)C(=O)N(c2ccccc12)Cc1ccccc1
• Title of publication: Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.
• Authors of publication: Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 1273 - 1278
• a: 17.187 ± 0.002 Å
• b: 15.4893 ± 0.0019 Å
• c: 15.3026 ± 0.0018 Å
• α: 90°
• β: 109.844 ± 0.002°
• γ: 90°
• Cell volume: 3831.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0565
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No