Information card for entry 4037166

Structure parameters

• Formula: C23 H19 N O5 S2
• Calculated formula: C23 H19 N O5 S2
• SMILES: C1(=O)N(C(=O)[C@](c2ccccc2)(S1)S(=O)(=O)Cc1ccccc1)c1ccc(cc1)OC
• Title of publication: Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.
• Authors of publication: Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 20
• Pages of publication: 9620 - 9629
• a: 8.62184 ± 0.00014 Å
• b: 15.212 ± 0.0003 Å
• c: 16.4772 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2161.07 ± 0.06 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: 0.0381
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No