Information card for entry 1507716

Structure parameters

• Formula: C19 H15 N O S2
• Calculated formula: C19 H15 N O S2
• SMILES: s1c(C[C@@]2(Sc3ccccc3)c3c(NC2=O)cccc3)ccc1
• Title of publication: Catalytic asymmetric sulfenylation of unprotected 3-substituted oxindoles.
• Authors of publication: Cai, Yunfei; Li, Jun; Chen, Weiliang; Xie, Mingsheng; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 11
• Pages of publication: 2726 - 2729
• a: 8.524 ± 0.0003 Å
• b: 8.2187 ± 0.0002 Å
• c: 12.2542 ± 0.0004 Å
• α: 90°
• β: 108.188 ± 0.004°
• γ: 90°
• Cell volume: 815.59 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.047
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No