Information card for entry 7223819

Structure parameters

• Formula: C23 H16 F3 N3 O3
• Calculated formula: C23 H16 F3 N3 O3
• SMILES: FC(F)(F)c1nc2n(c3c(n2Cc2cc(=O)oc4c(C)cc(C)cc24)cccc3)c(=O)c1
• Title of publication: Transition-metal-free solid phase synthesis of 1,2-disubstituted 4-quinolones via regiospecific synthesis of enaminones
• Authors of publication: Vinayaka, Ajjampura C.; Swaroop, Toreshettahally R.; Chikkade, Prasanna Kumara; Rangappa, Kanchugarakoppal S.; Sadashiva, Maralinganadoddi P.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.3819 ± 0.0012 Å
• b: 8.0471 ± 0.001 Å
• c: 26.808 ± 0.004 Å
• α: 90°
• β: 93.592 ± 0.007°
• γ: 90°
• Cell volume: 2019.9 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No