Information card for entry 7160948

Structure parameters

• Formula: C18 H13 F3 N2 O S
• Calculated formula: C18 H13 F3 N2 O S
• Title of publication: Radical-promoted cyclization of 3-allyl-2-arylquinazolinones mediated by silver(I) salts to access SCF₃/SCN-enriched dihydroisoquinolino[1,2-<i>b</i>]quinazolinones.
• Authors of publication: Vara, Vijay; Thete, Kishor R.; Khan, Akram A.; Muthukrishnan, M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1263 - 1267
• a: 18.4664 ± 0.0018 Å
• b: 8.2112 ± 0.001 Å
• c: 23.118 ± 0.003 Å
• α: 90°
• β: 111.933 ± 0.003°
• γ: 90°
• Cell volume: 3251.7 ± 0.7 ų
• Cell temperature: 179 ± 2 K
• Ambient diffraction temperature: 179 ± 2 K
• Number of distinct elements: 6
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No