Information card for entry 7131369

Structure parameters

• Formula: C19 H18 F2 N O4 S
• Calculated formula: C19 H18 F2 N O4 S
• Title of publication: Rh(III)-catalyzed redox-neutral C-H alkenylation of benzamides with <i>gem</i>-difluorohomoallylic silyl ethers <i>via</i> β-H elimination.
• Authors of publication: Cui, Xueli; Qu, Jing; Yi, Jianfeng; Sun, Weiqiang; Hu, Jinhui; Guo, Suqin; Jin, Jing-Wei; Chen, Wen-Hua; Wong, Wing-Leung; Wu, Jia-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 25
• Pages of publication: 3747 - 3750
• a: 21.7735 ± 0.0004 Å
• b: 5.59738 ± 0.00011 Å
• c: 15.2888 ± 0.0003 Å
• α: 90°
• β: 99.1606 ± 0.0017°
• γ: 90°
• Cell volume: 1839.55 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No