Information card for entry 4030334

Structure parameters

• Formula: C22 H19 N O3 S
• Calculated formula: C22 H19 N O3 S
• SMILES: S(=O)(=O)(c1ccc(cc1)C)C1(C(=O)Nc2c1cccc2)Cc1ccccc1
• Title of publication: Preparation of 3-Sulfonylated 3,3-Disubstituted Oxindoles by the Addition of Sulfinate Salts to 3-Halooxindoles.
• Authors of publication: Zuo, Jian; Wu, Zhi-Jun; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 634
• a: 8.5949 ± 0.0004 Å
• b: 12.6279 ± 0.0006 Å
• c: 17.9523 ± 0.001 Å
• α: 90°
• β: 95.417 ± 0.005°
• γ: 90°
• Cell volume: 1939.76 ± 0.17 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No