Information card for entry 1577280

Structure parameters

• Formula: C12 H13 Cl N2 O2 S
• Calculated formula: C12 H13 Cl N2 O2 S
• Title of publication: The palladium-catalysed modular annulative synthesis of cyclic sulfonimidamides
• Authors of publication: Zhu, Kangtao; Crumpton, Agamemnon E.; Willis, Michael C.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 11.9779 ± 0.0002 Å
• b: 7.9696 ± 0.0001 Å
• c: 13.5288 ± 0.0002 Å
• α: 90°
• β: 102.956 ± 0.0017°
• γ: 90°
• Cell volume: 1258.57 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No