Information card for entry 7135962

Structure parameters

• Formula: C18 H12 F N3
• Calculated formula: C18 H12 F N3
• Title of publication: Metal-free synthesis of highly substituted 2-aminopyridines by formal [3+3] annulation of α,α-dicyanoalkenes with imines
• Authors of publication: Zhu, Lixiang; Zhang, Yixin; Tan, Jian-Ping; Li, Jinling; Jia, Zhenhua; Loh, Teck Peng
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 32.982 ± 0.002 Å
• b: 4.0502 ± 0.0002 Å
• c: 22.9391 ± 0.0014 Å
• α: 90°
• β: 116.081 ± 0.003°
• γ: 90°
• Cell volume: 2752.3 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No