Information card for entry 7160837

Structure parameters

• Formula: C23 H23 N O S
• Calculated formula: C23 H23 N O S
• Title of publication: Synthesis of <i>S</i>-allylic sulfinamides by the catalytic nucleophilic allylation of <i>N</i>-sulfinylamines.
• Authors of publication: Fanai-Danesh, Shamim; Moseley, Daniel F.; Foote, Kevin M.; Jones, Kieran D.; Argent, Stephen P.; Lam, Hon Wai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 46
• Pages of publication: 10502 - 10507
• a: 14.218 ± 0.0001 Å
• b: 18.7508 ± 0.0001 Å
• c: 28.9297 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7712.63 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No