Information card for entry 7159992

Structure parameters

• Chemical name: QUINAZOLINONE
• Formula: C21 H15 F N2 O2
• Calculated formula: C21 H15 F N2 O2
• SMILES: Fc1cc(c2c(c3[nH]c(=O)c4c(n3)cccc4)cccc2)ccc1OC
• Title of publication: Green light-mediated dual eosin Y/Pd^II-catalyzed C(sp²)-H arylation of N-H unprotected 2-arylquinazolinones.
• Authors of publication: Mondal, Shuvam; Jana, Ranjan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 27
• Pages of publication: 5540 - 5545
• a: 7.4997 ± 0.0006 Å
• b: 13.6212 ± 0.0011 Å
• c: 16.1797 ± 0.0012 Å
• α: 90°
• β: 93.812 ± 0.004°
• γ: 90°
• Cell volume: 1649.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No