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Information card for entry 4036059
Preview
Coordinates | 4036059.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 N5 O |
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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 Å3 |
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 |
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