Information card for entry 4038550

Structure parameters

• Formula: C26 H22 N4 O4
• Calculated formula: C26 H22 N4 O4
• SMILES: c1cccc2c1[C@@](C(=O)N2Cc1ccccc1)([C@H](CN(=O)=O)c1ccccc1)n1ccc(n1)O
• Title of publication: Organocatalytic Enantioselective Michael Addition between 3-(3-hydroxy-1H-pyrazol-1-yl)Oxindole and β-Nitrostyrene for the Preparation of Chiral Di-substituted Oxindoles.
• Authors of publication: Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Zou, Ying; Li, Xia; Huang, Zhi-Cheng; Tian, Fang; Wang, Li-Xin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.111 ± 0.00015 Å
• b: 10.58534 ± 0.00014 Å
• c: 48.0239 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4631.57 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0467
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No