Information card for entry 7159686

Structure parameters

• Formula: C33 H32 N2 O3
• Calculated formula: C33 H32 N2 O3
• Title of publication: Synthesis of functionalized tetrahydrodibenzo[<i>b</i>,<i>g</i>][1,8]naphthyridin-1(2<i>H</i>)-ones through base-promoted annulation of quinoline-derived dipolarophiles and cyclic enaminones.
• Authors of publication: Luo, Wenjun; Zheng, Xinghua; Zhang, Fanglian; Luo, Qiuya; Deng, Wen-Ting; Long, Lipeng; Yu, Daohong; Wang, Zhong-Xia; Chen, Zhengwang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 48
• Pages of publication: 9524 - 9529
• a: 11.9232 ± 0.0003 Å
• b: 10.4301 ± 0.0004 Å
• c: 22.0572 ± 0.0008 Å
• α: 90°
• β: 100.919 ± 0.001°
• γ: 90°
• Cell volume: 2693.38 ± 0.16 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1233
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No