Information card for entry 7158612

Structure parameters

• Chemical name: 8-(5-Fluoro-2-hydroxybenzoyl)-6-phenyl-11H-pyrido[2,1-b]quinazolin-11-one
• Formula: C25 H15 F N2 O3
• Calculated formula: C25 H15 F N2 O3
• SMILES: O=c1c2ccccc2nc2c(cc(cn12)C(=O)c1c(ccc(c1)F)O)c1ccccc1
• Title of publication: Microwave-assisted annulation for the construction of pyrido-fused heterocycles and their application as photoluminescent chemosensors.
• Authors of publication: Yun, Ei Seul; Akhtar, Muhammad Saeed; Mohandoss, Sonaimuthu; Lee, Yong Rok
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 3397 - 3407
• a: 7.147 ± 0.006 Å
• b: 11.942 ± 0.01 Å
• c: 12.279 ± 0.013 Å
• α: 61.56 ± 0.03°
• β: 87.07 ± 0.03°
• γ: 75.58 ± 0.03°
• Cell volume: 889.7 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No