Information card for entry 7161018

Structure parameters

• Chemical name: (Z)-N-(2-([1,1'-biphenyl]-4-yl)-2-chlorovinyl)-N-hexyl-4-methylbenzenesulfonamide
• Formula: C27 H30 Cl N O2 S
• Calculated formula: C27 H30 Cl N O2 S
• Title of publication: Base-promoted cascade haloamination/β-elimination of alkenyl thianthrenium salts: access to (<i>Z</i>)-β-chloroenamines.
• Authors of publication: Lv, Qing-Long; Fan, Yue; Qi, Yuanbing; Lu, Yuzhe; Xue, Yinjiang; Shi, Ao-Tong; Xia, Hongqiang; Li, Dianjun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• a: 5.5758 ± 0.0003 Å
• b: 20.3604 ± 0.001 Å
• c: 22.2066 ± 0.0012 Å
• α: 90°
• β: 94.007 ± 0.002°
• γ: 90°
• Cell volume: 2514.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2045
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.3325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No