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Information card for entry 7112617
Preview
Coordinates | 7112617.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H22 O5 S |
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Calculated formula | C25 H22 O5 S |
SMILES | s1cccc1C(=O)C[C@H]([C@@]1(C(=O)Oc2c1cccc2)c1ccccc1)C(=O)OC(C)C |
Title of publication | Highly diastereo- and enantioselective Michael addition of 3-substituted benzofuran-2(3H)-ones to 4-oxo-enoates catalyzed by lanthanide(III) complexes |
Authors of publication | Zhen Wang; Qian Yao; Tengfei Kang; Juhua Feng; Xiaohua Liu; Lili Lin; Xiaoming Feng |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 4918 |
a | 7.7042 ± 0.0004 Å |
b | 15.7653 ± 0.0007 Å |
c | 9.1879 ± 0.0004 Å |
α | 90° |
β | 104.37 ± 0.005° |
γ | 90° |
Cell volume | 1081.04 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 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 | 0.0726 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1238 |
Weighted residual factors for all reflections included in the refinement | 0.1396 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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