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Information card for entry 1555816
Preview
Coordinates | 1555816.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H17 Cl O4 |
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Calculated formula | C20 H17 Cl O4 |
SMILES | Clc1ccc(C2=C(C(=O)OC(C2)C(=O)OCC)c2ccccc2)cc1 |
Title of publication | Michael Addition-Lactonization of Arylacetyl Phosphonate to β,γ-Unsaturated α-Keto Esters for the Synthesis of Chiral syn-3,4-Dihydropyranones and 5,6-Dihydropyranones. |
Authors of publication | Zhang, Ming-Liang; Wu, Zhi-Jun; Zhao, Jian-Qiang; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 5110 - 5113 |
a | 6.2163 ± 0.0006 Å |
b | 23.306 ± 0.002 Å |
c | 11.8875 ± 0.0012 Å |
α | 90° |
β | 96.96 ± 0.001° |
γ | 90° |
Cell volume | 1709.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0433 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1041 |
Weighted residual factors for all reflections included in the refinement | 0.1069 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/1555816.html
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