Information card for entry 7159838

Structure parameters

• Formula: C17 H10 F3 N O
• Calculated formula: C17 H10 F3 N O
• SMILES: FC(F)(F)c1cc2CN3C(=O)c4ccccc4C3=Cc2cc1
• Title of publication: Construction of indolizine scaffolds from α,ω-alkynoic acids and α,ω-vinylamines <i>via</i> sequential-relay catalysis in "one pot".
• Authors of publication: Liu, Jiami; Lu, Yi; Zhu, Lingxuan; Lei, Xinsheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 12
• Pages of publication: 2474 - 2479
• a: 7.2327 ± 0.0011 Å
• b: 7.6558 ± 0.0011 Å
• c: 13.5621 ± 0.0018 Å
• α: 100.334 ± 0.004°
• β: 95.405 ± 0.004°
• γ: 109.676 ± 0.004°
• Cell volume: 685.89 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1572
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No