Information card for entry 1561699

Structure parameters

• Formula: C14 H21 N O5 S
• Calculated formula: C14 H21 N O5 S
• SMILES: S(=O)(=O)(N1CCOCC1)CCc1cc(OC)c(OC)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: 26.9877 ± 0.0004 Å
• b: 5.7256 ± 0.0001 Å
• c: 9.8987 ± 0.0002 Å
• α: 90°
• β: 90.078 ± 0.002°
• γ: 90°
• Cell volume: 1529.55 ± 0.05 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: 0.035
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No