Information card for entry 7161019

Structure parameters

• Formula: C27 H25 N O2 S
• Calculated formula: C27 H25 N O2 S
• Title of publication: Metal-free quinoline synthesis <i>via</i> Brønsted acid-promoted cyclization of ene-ynamides.
• Authors of publication: Wang, Yijie; Li, Yu; Zhang, Lisha; Chang, Junbiao; Wang, Xiao-Na
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 899 - 904
• a: 9.3321 ± 0.0003 Å
• b: 13.1747 ± 0.0004 Å
• c: 17.9409 ± 0.0004 Å
• α: 90°
• β: 92.91 ± 0.002°
• γ: 90°
• Cell volume: 2202.95 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0748
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No