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Information card for entry 4026385
Preview
Coordinates | 4026385.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H17 N O3 S |
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Calculated formula | C21 H17 N O3 S |
SMILES | S(=O)(c1c(/C=C/c2ccc(OC(=O)C)cc2)cccc1)c1ncccc1 |
Title of publication | Palladium(II)-Catalyzed Direct Alkenylation and Arylation of Arenes: Removable 2-Pyridylsulfinyl Group Assisted C-H Bond Activation |
Authors of publication | Ming Yu; Zunjun Liang; Yongyong Wang; Yuhong Zhang |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 4987 - 4994 |
a | 5.1178 ± 0.0002 Å |
b | 23.1935 ± 0.0006 Å |
c | 15.3254 ± 0.0005 Å |
α | 90° |
β | 99.668 ± 0.003° |
γ | 90° |
Cell volume | 1793.28 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.062 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.1278 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4026385.html
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