Information card for entry 7135781

Structure parameters

• Formula: C21 H14 N2 O3 S
• Calculated formula: C21 H14 N2 O3 S
• Title of publication: Enantioselective construction of chiral quinoline scaffold <i>via</i> a Michael addition/<i>O</i>-alkylation sequence.
• Authors of publication: Wang, Juelian; Wei, Yue; Yang, Yihuan; Bai, Guishun; Hua, Yi; Chen, Jianwei; Wang, Hong; Bonne, Damien; Bao, Xiaoze
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 29
• Pages of publication: 7580 - 7583
• a: 9.8111 ± 0.0003 Å
• b: 7.4763 ± 0.0002 Å
• c: 12.2064 ± 0.0004 Å
• α: 90°
• β: 96.802 ± 0.001°
• γ: 90°
• Cell volume: 889.05 ± 0.05 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No