Information card for entry 7159482

Structure parameters

• Formula: C18 H15 F N2 O5
• Calculated formula: C18 H15 F N2 O5
• SMILES: Fc1ccc([C@H]([C@]2(OC(=O)C)c3ccccc3NC2=O)CN(=O)=O)cc1
• Title of publication: High diastereo- and enantioselective Michael addition of 3-acetoxy-2-oxindoles with nitroalkenes catalyzed by nickel/PyBisulidine.
• Authors of publication: Wu, Ruoran; Chen, Peng; Chai, Yu; Zhou, Junyu; Ou, Jianhua; Min, Yan; Wang, Haoting; Liang, Guojuan; Zhang, Dong; Zhou, Jing; Zhou, Hui
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 6225 - 6229
• a: 8.98207 ± 0.00019 Å
• b: 13.3543 ± 0.0003 Å
• c: 29.0314 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3482.29 ± 0.12 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: 0.0587
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No