Information card for entry 1577161

Structure parameters

• Formula: C10 H9 Cl F N O4 S
• Calculated formula: C10 H9 Cl F N O4 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: 7.0402 ± 0.0005 Å
• b: 8.2666 ± 0.0002 Å
• c: 10.7074 ± 0.0002 Å
• α: 104.196 ± 0.001°
• β: 90.634 ± 0.004°
• γ: 92.555 ± 0.004°
• Cell volume: 603.37 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No