Information card for entry 7161097

Structure parameters

• Formula: C28 H30 N2 O5
• Calculated formula: C28 H30 N2 O5
• Title of publication: Efficient Synthesis of Quinoline-Enone Esters via Copper-Catalyzed Coupling with Electron-Deficient Alkynes and Exploration of Fluorescence in Difluoroboron Complexes †
• Authors of publication: Wang, Xiaojiao; Cao, Xin; Li, Zhenjiang; Qi, Jialin; Gong, Shuwen
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 11.1309 ± 0.0017 Å
• b: 12.6805 ± 0.0019 Å
• c: 19.595 ± 0.003 Å
• α: 106.305 ± 0.008°
• β: 98.029 ± 0.008°
• γ: 90.268 ± 0.008°
• Cell volume: 2625.7 ± 0.7 ų
• Cell temperature: 303 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No