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Information card for entry 7108840
Preview
Coordinates | 7108840.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H32 N4 O6 |
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Calculated formula | C34 H32 N4 O6 |
SMILES | O=C(OC(C)(C)C)C1=C(Nc2ccccc2)C[C@H](N([C@@H]1c1ccc(N(=O)=O)cc1)c1ccccc1)c1ccc(N(=O)=O)cc1 |
Title of publication | Organocatalytic asymmetric multicomponent reactions of aromatic aldehydes and anilines with β-ketoesters: facile and atom-economical access to chiral tetrahydropyridines |
Authors of publication | Li, Xuejian; Zhao, Yanyan; Qu, Haijun; Mao, Zhenjun; Lin, Xufeng |
Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
Year of publication | 2013 |
Journal volume | 49 |
Journal issue | 14 |
Pages of publication | 1401 - 1403 |
a | 11.5684 ± 0.0002 Å |
b | 10.3734 ± 0.00015 Å |
c | 13.8042 ± 0.0003 Å |
α | 90° |
β | 113.134 ± 0.002° |
γ | 90° |
Cell volume | 1523.35 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0937 |
Weighted residual factors for all reflections included in the refinement | 0.0983 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7108840.html
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Users of the data should acknowledge the original authors of the
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