Information card for entry 1561702

Structure parameters

• Formula: C10 H17 F2 N O3 S
• Calculated formula: C10 H17 F2 N O3 S
• SMILES: S(=O)(=O)(N1CCOCC1)C1CCC(F)(F)CC1
• Title of publication: Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides
• Authors of publication: Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 11.83783 ± 0.00011 Å
• b: 10.04452 ± 0.0001 Å
• c: 10.01996 ± 0.00009 Å
• α: 90°
• β: 96.4304 ± 0.0008°
• γ: 90°
• Cell volume: 1183.93 ± 0.019 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0309
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No