Information card for entry 4037009

Structure parameters

• Formula: C19 H17 N O3
• Calculated formula: C19 H17 N O3
• SMILES: C1(=O)c2c(CO1)c(c1c(ccc(c1)C)n2)c1ccccc1.CO
• Title of publication: Visible-Light-Induced Photocatalytic Aerobic Oxidation/Povarov Cyclization Reaction: Synthesis of Substituted Quinoline-Fused Lactones.
• Authors of publication: Dong, Wuheng; Hu, Bei; Gao, Xiaoshuang; Li, Yuyuan; Xie, Xiaomin; Zhang, Zhaoguo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 8770 - 8776
• a: 20.851 ± 0.004 Å
• b: 7.341 ± 0.002 Å
• c: 20.98 ± 0.004 Å
• α: 90°
• β: 108.138 ± 0.012°
• γ: 90°
• Cell volume: 3051.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No