Information card for entry 7160368

Structure parameters

• Formula: C20 H20 N2 S
• Calculated formula: C20 H20 N2 S
• Title of publication: Cascade reaction of α-aryl vinyl and propargyl sulfonium salts with carbon nucleophiles: synthesis of functionalized benzyl and homoallyl thioethers.
• Authors of publication: Awchar, Vilas M.; Baskaran, Sundarababu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 2610 - 2614
• a: 5.7116 ± 0.0003 Å
• b: 9.0628 ± 0.0005 Å
• c: 34.5624 ± 0.0019 Å
• α: 90°
• β: 92.604 ± 0.003°
• γ: 90°
• Cell volume: 1787.21 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No