Information card for entry 4514919

Structure parameters

• Formula: C21 H16 F3 N4
• Calculated formula: C21 H17 F3 N4
• SMILES: c1cc(cc(NC(c2cnc3c(cccn23)C)c2ccccc2)n1)C(F)(F)F
• Title of publication: Highly Regioselective, Acid-Catalyzed, Three-Component Cascade Reaction for the Synthesis of 2-aminopyridine-Decorated Imidazo[1,2- a]pyridine.
• Authors of publication: He, Qiu-Xing; Liang, Yao-Feng; Xu, Chang; Yao, Xiao-Kun; Cao, Hua; Yao, Hua-Gang
• Journal of publication: ACS combinatorial science
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 149 - 153
• a: 8.9672 ± 0.0003 Å
• b: 13.9684 ± 0.0005 Å
• c: 14.9369 ± 0.0005 Å
• α: 90.013 ± 0.002°
• β: 90.036 ± 0.002°
• γ: 96.329 ± 0.002°
• Cell volume: 1859.55 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No