Information card for entry 7153118

Structure parameters

• Formula: C23 H18 F N O3
• Calculated formula: C23 H18 F N O3
• SMILES: OC1(CC(=O)c2ccc(F)cc2)c2c(N(C1=O)Cc1ccccc1)cccc2
• Title of publication: Enantioselective synthesis of 3-hydroxy oxindoles by ytterbium-catalysed decarboxylative addition of β-ketoacids to isatins.
• Authors of publication: Duan, Zhiqiang; Han, Jianlin; Qian, Ping; Zhang, Zirui; Wang, Yi; Pan, Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 38
• Pages of publication: 6456 - 6459
• a: 17.9074 ± 0.0018 Å
• b: 12.6049 ± 0.0012 Å
• c: 17.3136 ± 0.0017 Å
• α: 90°
• β: 109.254 ± 0.002°
• γ: 90°
• Cell volume: 3689.5 ± 0.6 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: 0.0769
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No