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Information card for entry 7108841
Preview
Coordinates | 7108841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H30 N2 O |
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Calculated formula | C30 H30 N2 O |
SMILES | OC[C@H]1[C@H](N(c2ccccc2)[C@H](c2ccccc2)C[C@@H]1Nc1ccccc1)c1ccccc1.OC[C@H]1[C@H](Nc2ccccc2)C[C@@H](N(c2ccccc2)[C@H]1c1ccccc1)c1ccccc1 |
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 | 7.9799 ± 0.0005 Å |
b | 8.7756 ± 0.0007 Å |
c | 17.288 ± 0.002 Å |
α | 87.612 ± 0.01° |
β | 85.963 ± 0.009° |
γ | 78.796 ± 0.006° |
Cell volume | 1184.15 ± 0.18 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1374 |
Residual factor for significantly intense reflections | 0.1109 |
Weighted residual factors for significantly intense reflections | 0.2762 |
Weighted residual factors for all reflections included in the refinement | 0.3099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7108841.html
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