Information card for entry 7160594

Structure parameters

• Formula: C20 H15 N3 O
• Calculated formula: C20 H15 N3 O
• 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: 8.301 ± 0.0005 Å
• b: 9.0115 ± 0.0005 Å
• c: 11.8908 ± 0.0006 Å
• α: 68.139 ± 0.002°
• β: 81.424 ± 0.002°
• γ: 86.433 ± 0.002°
• Cell volume: 816.27 ± 0.08 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: 0.0523
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No