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Information card for entry 7107118
Preview
Coordinates | 7107118.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 Cl N O5 S |
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Calculated formula | C17 H16 Cl N O5 S |
SMILES | Clc1ccc([C@H](CC=O)[C@H](S(=O)(=O)c2ncccc2)C(=O)OC)cc1 |
Title of publication | Synthesis of 3-substituted 1,5-aldehyde esters via an organocatalytic highly enantioselective conjugate addition of new carbonylmethyl 2-pyridinylsulfone to enals |
Authors of publication | Jing Deng; Fei Wang; Wenzhong Yan; Jin Zhu; Hualiang Jiang; Wei Wang; Jian Li |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 47 |
Pages of publication | 148 |
a | 9.0413 ± 0.0008 Å |
b | 13.824 ± 0.0012 Å |
c | 13.9065 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1738.1 ± 0.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0216 |
Residual factor for significantly intense reflections | 0.021 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7107118.html
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