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Information card for entry 1503134
Preview
Coordinates | 1503134.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H58 Cl2 N6 O14 |
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Calculated formula | C54 H58 Cl2 N6 O14 |
SMILES | Clc1ccc(cc1)[C@H]1C(=C(N)N(c2ccc(cc2)c2ccc(N3C(=C([C@@H](c4ccc(Cl)cc4)C(=C3C(=O)OC)C(=O)OC)C(=O)OCC)N)cc2)C(=C1C(=O)OC)C(=O)OC)C(=O)OCC.O=CN(C)C.O=CN(C)C |
Title of publication | Synthesis of polysubstituted dihydropyridines by four-component reactions of aromatic aldehydes, malononitrile, arylamines, and acetylenedicarboxylate. |
Authors of publication | Sun, Jing; Xia, Er-Yan; Wu, Qun; Yan, Chao-Guo |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 16 |
Pages of publication | 3678 - 3681 |
a | 6.207 ± 0.004 Å |
b | 11.28 ± 0.01 Å |
c | 19.29 ± 0.01 Å |
α | 90.298 ± 0.008° |
β | 95.025 ± 0.008° |
γ | 99.589 ± 0.008° |
Cell volume | 1326.3 ± 1.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1513 |
Residual factor for significantly intense reflections | 0.0976 |
Weighted residual factors for significantly intense reflections | 0.2522 |
Weighted residual factors for all reflections included in the refinement | 0.2804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1503134.html
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