Information card for entry 7228852

Structure parameters

• Formula: C21 H28 N2 O3 S
• Calculated formula: C21 H28 N2 O3 S
• SMILES: S(=O)(N[C@@]1(C(=O)N(c2ccccc12)Cc1ccccc1)CC)C(C)(C)C.O
• Title of publication: Highly efficient synthesis of chiral quaternary 3-aminooxindoles promoted by zinc(ii) chloride via Et2Zn-catalysed addition of Grignard reagents to isaltin-derived N-tert-butanesulfinyl ketimines
• Authors of publication: Yang, Shiwei; Bian, Guangling; Chen, Zhongxiang; Xia, Xiaohan; Zhou, Mi; Cui, Caiyan; Song, Ling
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 61
• Pages of publication: 38216
• a: 8.6256 ± 0.0001 Å
• b: 22.3286 ± 0.0003 Å
• c: 10.6389 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2049.03 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No