Information card for entry 7132885

Structure parameters

• Formula: C21 H23 N O3 S
• Calculated formula: C21 H23 N O3 S
• SMILES: S(=O)(=O)([C@]1(C(=O)Nc2c1cccc2)Cc1ccccc1)C1CCCCC1
• Title of publication: Enantioselective sulfonylation to construct 3-sulfonylated oxindoles.
• Authors of publication: Li, Hongye; Zhou, Yuqiao; Tan, Zheng; Wang, Xiangyu; Zhang, Yuxin; Wang, Fei; Feng, Xiaoming; Liu, Xiaohua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 32
• Pages of publication: 4354 - 4357
• a: 10.5669 ± 0.0003 Å
• b: 8.0829 ± 0.0002 Å
• c: 11.7127 ± 0.0003 Å
• α: 90°
• β: 113 ± 0.001°
• γ: 90°
• Cell volume: 920.87 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No