Information card for entry 1561701

Structure parameters

• Formula: C26 H33 N O9 S
• Calculated formula: C26 H33 N O9 S
• SMILES: S(=O)(=O)(N1CCOCC1)[C@@H]1[C@@]23[C@H]([C@@]45OC(=O)[C@@]([C@@H]14)([C@@H](OC(=O)C)C=C5)C)CC[C@@](OC(=O)C)(C(=C)C2)C3
• 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: 22.5244 ± 0.0002 Å
• b: 10.26708 ± 0.0001 Å
• c: 12.02634 ± 0.00011 Å
• α: 90°
• β: 96.6693 ± 0.0009°
• γ: 90°
• Cell volume: 2762.39 ± 0.04 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No