Information card for entry 1577165

Structure parameters

• Chemical name: AZ14288800 SN1088856581
• Formula: C18 H12 Cl F N4 O2 S
• Calculated formula: C18 H12 Cl F N4 O2 S
• Title of publication: Regioselective synthesis of aza-saccharins via anionic [1,4] Fries-type rearrangement of aryl sulfonimidoyl fluorides
• Authors of publication: Leypold, Mario; Poli, Lorenzo; Earl, Max; Putra, Okky D.; Kwapien, Karolina; Lewis, Richard J.; Murphy, John J.; Passamonti, Marta; von Sydow, Lena M.; Spelling, Victor; Asproudis, Ioannis; Sardana, Malvika; Gatti, Claudia; Seki, Hikaru; Lemaitre, Thomas; Juskaite, Radvile; Gopalakrishnan, Ranganath; Francis, Stuart J.; Gardelli, Cristina; Norrby, Per-Ola; Czechtizky, Werngard
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 22.2711 ± 0.0001 Å
• b: 12.3999 ± 0.0001 Å
• c: 13.0429 ± 0.0001 Å
• α: 90°
• β: 105.504 ± 0.001°
• γ: 90°
• Cell volume: 3470.85 ± 0.04 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No