Information card for entry 1576298

Structure parameters

• Formula: C29 H31 N O4 S2
• Calculated formula: C29 H31 N O4 S2
• Title of publication: Regio-reversed alkenyl-arylation of ynamides <i>via</i> 1,3-olefin shift.
• Authors of publication: Verma, Saumya; Sethi, Manoj; Sahoo, Akhila K.
• Journal of publication: Chemical science
• Year of publication: 2025
• a: 9.8038 ± 0.0017 Å
• b: 10.547 ± 0.0018 Å
• c: 14.691 ± 0.002 Å
• α: 100.526 ± 0.006°
• β: 106.29 ± 0.006°
• γ: 104.294 ± 0.006°
• Cell volume: 1360.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 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: 0.0577
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No