Information card for entry 4033755

Structure parameters

• Formula: C25 H20 F N3 O2
• Calculated formula: C25 H20 F N3 O2
• SMILES: Fc1ccc(c2nc(NCc3ccc(C)cc3)c(N(=O)=O)c(c2)c2ccccc2)cc1
• Title of publication: Highly Selective Synthesis of 2-Amino-4,6-diarylpyridine Derivatives by the Cascade Reaction of 1,1-Enediamines with α,β-Unsaturated Ketones.
• Authors of publication: Luo, Qin; Huang, Rong; Xiao, Qiang; Yao, Yuan; Lin, Jun; Yan, Sheng-Jiao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1999 - 2011
• a: 15.117 ± 0.002 Å
• b: 7.2213 ± 0.0011 Å
• c: 19.403 ± 0.003 Å
• α: 90°
• β: 96.412 ± 0.002°
• γ: 90°
• Cell volume: 2104.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0816
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No