Information card for entry 7156678

Structure parameters

• Formula: C22 H17 N3 O
• Calculated formula: C22 H17 N3 O
• Title of publication: Synthesis of quinazolin-4(1H)-ones via amination and annulation of amidines and benzamides.
• Authors of publication: Hu, Fangpeng; Cui, Xinfeng; Ban, Zihui; Lu, Guoqiang; Luo, Nan; Huang, Guosheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2356 - 2360
• a: 8.624 ± 0.003 Å
• b: 8.992 ± 0.003 Å
• c: 13.312 ± 0.004 Å
• α: 92.425 ± 0.005°
• β: 103.464 ± 0.005°
• γ: 118.016 ± 0.004°
• Cell volume: 872.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0684
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No