Information card for entry 7158236

Structure parameters

• Formula: C24 H22 N2 O5 S
• Calculated formula: C24 H22 N2 O5 S
• SMILES: S(=O)(=O)(N[C@@H]([C@@]1(OC(=O)C)C(=O)Nc2c1cccc2)c1ccccc1)c1ccc(cc1)C
• Title of publication: A zinc/PyBisulidine catalyzed asymmetric Mannich reaction of N-tosyl imines with 3-acyloxy-2-oxindoles
• Authors of publication: Yang, Zinan; He, Huakang; Tian, Rui; Wu, Ruoran; Hu, Sheng; Wu, Yue; Zhou, Hui
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 34
• Pages of publication: 7460 - 7469
• a: 9.42743 ± 0.00015 Å
• b: 9.8509 ± 0.0002 Å
• c: 24.0927 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2237.46 ± 0.07 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: 0.0561
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No