Information card for entry 4032414

Structure parameters

• Formula: C23 H17 F4 N O2
• Calculated formula: C23 H17 F4 N O2
• SMILES: FC(F)(F)c1n2c3ccccc3ccc2c(Cc2ccc(F)cc2)c1C(=O)OCC
• Title of publication: Catalyst-free Synthesis of Pyrrolo[1,2-a]quinolines via Dehydration/[3+2] Cycloaddition Directly from 2-Methylquinolines, Aldehydes and Alkynoates.
• Authors of publication: Wu, Fu-Song; Zhao, Hai-Yuan; Xu, Yan-Li; Hu, Kun; Pan, Ying-Ming; Ma, Xian-Li
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 8.2176 ± 0.0016 Å
• b: 9.2644 ± 0.0018 Å
• c: 13.11 ± 0.003 Å
• α: 99.384 ± 0.003°
• β: 91.951 ± 0.003°
• γ: 93.602 ± 0.003°
• Cell volume: 981.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0567
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No