Information card for entry 1572486

Structure parameters

• Formula: C20 H22 N2
• Calculated formula: C20 H22 N2
• Title of publication: CCC Pincer Ru Complex-Catalyzed C-H Vinylation/6π-E-Cyclization of Aldimines for Constructing 4H-Pyrido[1,2-a]pyrimidines
• Authors of publication: Cai, Heng; Tu, Yong Qiang; Niu, Qiang; Xie, Wen-Ping; Wang, Bin; Ka, Lu; Li, Zi-Hao; Zhang, Fu-Min; Zhang, Xiao-Ming
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 9.1803 ± 0.0002 Å
• b: 12.075 ± 0.0002 Å
• c: 28.1968 ± 0.0004 Å
• α: 90°
• β: 96.323 ± 0.001°
• γ: 90°
• Cell volume: 3106.66 ± 0.1 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No