Information card for entry 1542443

Structure parameters

• Formula: C19 H11 F3 N2 O2
• Calculated formula: C19 H11 F3 N2 O2
• SMILES: [O-]c1n2c3[n+](ccc(c3)C(F)(F)F)c(c2ccc1)C(=O)c1ccccc1
• Title of publication: Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols.
• Authors of publication: Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 5
• Pages of publication: 1064
• a: 7.5256 ± 0.0015 Å
• b: 7.9629 ± 0.0016 Å
• c: 13.641 ± 0.003 Å
• α: 103.84 ± 0.03°
• β: 91.68 ± 0.03°
• γ: 98.51 ± 0.03°
• Cell volume: 783.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2539
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No