Information card for entry 4030749

Structure parameters

• Formula: C22 H18 F N O4
• Calculated formula: C22 H18 F N O4
• SMILES: Fc1ccc(C2=CC(=O)O[C@]3(C2)C(=O)N(c2c3cc(OC)cc2)CC=C)cc1
• Title of publication: Enantioselective Assembly of Spirocyclic Oxindole-dihydropyranones through NHC-Catalyzed Cascade Reaction of Isatins with N-Hydroxybenzotriazole Esters of α,β-Unsaturated Carboxylic Acid.
• Authors of publication: Que, Yonglei; Li, Tuanjie; Yu, Chenxia; Wang, Xiang-Shan; Yao, Changsheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 3289 - 3294
• a: 9.5333 ± 0.0007 Å
• b: 11.1732 ± 0.0008 Å
• c: 17.3909 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No