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Information card for entry 1502341
Preview
Coordinates | 1502341.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H13 N O3 S |
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Calculated formula | C12 H13 N O3 S |
SMILES | S(C(=C\C(=O)C)\c1cc(N(=O)=O)ccc1)CC |
Title of publication | Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks. |
Authors of publication | Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 16 |
Pages of publication | 4272 - 4275 |
a | 7.7751 ± 0.0006 Å |
b | 10.3561 ± 0.0008 Å |
c | 30.771 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2477.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P b c 21 |
Hall space group symbol | P 2c -2b |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0524 |
Weighted residual factors for significantly intense reflections | 0.1322 |
Weighted residual factors for all reflections included in the refinement | 0.1357 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
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/1502341.html
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Users of the data should acknowledge the original authors of the
structural data.