Information card for entry 7160526

Structure parameters

• Formula: C26 H22 N2 O
• Calculated formula: C26 H22 N2 O
• Title of publication: Synthesis of pyridino[2,1-<i>b</i>]quinazolinones <i>via</i> a visible light-induced functionalization of alkynes/nitrile insertion/cyclization tandem sequences in continuous-flow technology.
• Authors of publication: Wei, Minghui; Wang, Xujia; Zhang, Jintao; Chen, Jiankun; Liu, Chengkou; Yang, Zhao; Li, Yuguang; Qin, Hong; Fang, Zheng; Guo, Kai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 5203 - 5207
• a: 12.6782 ± 0.0008 Å
• b: 24.5075 ± 0.0017 Å
• c: 12.7134 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3950.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No