Information card for entry 1574666

Structure parameters

• Formula: C19 H18 N2 O6 S
• Calculated formula: C19 H18 N2 O6 S
• Title of publication: Visible-light-initiated metal-free Csp3–Csp3 to Csp3–N conversion in homobenzylic sulfonamides with N-iodoimides
• Authors of publication: Morales-Ortega, Guillermo; Merino, Estíbaliz; Carreras, Javier
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 11413 - 11418
• a: 8.2636 ± 0.0003 Å
• b: 10.5834 ± 0.0004 Å
• c: 12.5316 ± 0.0004 Å
• α: 72.073 ± 0.001°
• β: 74.008 ± 0.001°
• γ: 67.285 ± 0.001°
• Cell volume: 946.44 ± 0.06 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 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: 0.0533
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No