Information card for entry 7160593

Structure parameters

• Formula: C20 H17 N3 O2
• Calculated formula: C20 H17 N3 O2
• Title of publication: Regioselective double dehydrative cyclization route to construct polyheterocyclic skeletons consisting of 2,3-dihydroquinazolin-4(1<i>H</i>)-ones and 1,2-dihydropyrrolo[1,2-<i>a</i>]pyrazines.
• Authors of publication: Ku, Dohui; Song, Seoyoung; Kim, Ikyon
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 27
• Pages of publication: 6589 - 6602
• a: 7.809 ± 0.003 Å
• b: 9.962 ± 0.004 Å
• c: 11.501 ± 0.004 Å
• α: 99.417 ± 0.004°
• β: 109.569 ± 0.004°
• γ: 95.765 ± 0.004°
• Cell volume: 820 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No