Information card for entry 7123745

Structure parameters

• Formula: C15 H16 Cl N O3 S
• Calculated formula: C15 H16 Cl N O3 S
• Title of publication: Transition-Metal- and Oxidant-Free Directed Anodic C-H Sulfonylation of N,N-Disubstituted Anilines with Sulfinates
• Authors of publication: Wu, Yan-Chen; Jiang, Shuai-Shuai; Luo, Shu-Zheng; Song, Ren-Jie; Li, Jin-Heng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.476 ± 0.003 Å
• b: 14.578 ± 0.005 Å
• c: 12.795 ± 0.005 Å
• α: 90°
• β: 100.486 ± 0.004°
• γ: 90°
• Cell volume: 1554.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.146
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No