Information card for entry 4036059

Structure parameters

• Formula: C18 H19 N5 O
• Calculated formula: C18 H19 N5 O
• SMILES: N(c1cc(ccc1)OC)c1nc(nc(N(C)C)n1)c1ccccc1
• Title of publication: Visible-light-Catalyzed [3 + 1 + 2] Coupling Annulations for the Synthesis of Unsymmetrical Tri-substituted Amino-1,3,5-triazines.
• Authors of publication: Guo, Wei; Zhao, Mingming; Chengtang, Du; Zheng, Lvyin; Li, Luo; Chen, Liping; Tao, Kailiang; Tan, Wen; Xie, Zhen; Cai, Liuhuan; Fan, XiaoLin; Zhang, Kai
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 16.55068 ± 0.0001 Å
• b: 26.78093 ± 0.00017 Å
• c: 7.26499 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3220.15 ± 0.04 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No