Information card for entry 1561704

Structure parameters

• Formula: C14 H25 N O2 S
• Calculated formula: C14 H25 N O2 S
• SMILES: S(=O)(=O)(NC(C)(C)C)C12CC3CC(C1)CC(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: 6.4731 ± 0.0001 Å
• b: 19.8101 ± 0.0002 Å
• c: 11.0428 ± 0.0001 Å
• α: 90°
• β: 94.993 ± 0.001°
• γ: 90°
• Cell volume: 1410.68 ± 0.03 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No