Information card for entry 7160750

Structure parameters

• Chemical name: ZXY-603
• Formula: C26 H34 N2 O6 S2
• Calculated formula: C26 H34 N2 O6 S2
• Title of publication: The metal-free or Lewis acid-catalyzed C5-H methylthiomethylation of oxindoles with DMSO.
• Authors of publication: Zhang, Xiya; Yu, Mingming; Zhou, Junyu; Wang, Jinhua; Li, Shiqing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 40
• Pages of publication: 9158 - 9163
• a: 8.395 ± 0.002 Å
• b: 9.021 ± 0.003 Å
• c: 9.771 ± 0.003 Å
• α: 114.409 ± 0.009°
• β: 101.026 ± 0.009°
• γ: 93.038 ± 0.01°
• Cell volume: 654.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No