Information card for entry 1561700

Structure parameters

• Formula: C13 H17 N O3 S
• Calculated formula: C13 H17 N O3 S
• SMILES: S(=O)(=O)(N1CCOCC1)C1Cc2c(C1)cccc2
• 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: 23.1972 ± 0.0002 Å
• b: 6.10055 ± 0.00007 Å
• c: 9.242 ± 0.00009 Å
• α: 90°
• β: 90.2932 ± 0.0009°
• γ: 90°
• Cell volume: 1307.87 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No