Information card for entry 4033753

Structure parameters

• Formula: C24 H18 Cl F N2
• Calculated formula: C24 H18 Cl F N2
• SMILES: Clc1ccc(c2cc(c3ccccc3)cc(n2)NCc2ccc(F)cc2)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: 18.22 ± 0.004 Å
• b: 23.595 ± 0.005 Å
• c: 8.884 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3819.2 ± 1.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1006
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No