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Information card for entry 4029259
Preview
Coordinates | 4029259.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H13 N S |
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Calculated formula | C16 H13 N S |
SMILES | s1c(c2ncccc2)ccc1c1ccc(cc1)C |
Title of publication | Direct C-H Arylation of Thiophenes at Low Catalyst Loading of a Phosphine-Free Bis(alkoxo)palladium Complex. |
Authors of publication | Li, Yabo; Wang, Jingran; Huang, Mengmeng; Wang, Zhiwei; Wu, Yusheng; Wu, Yangjie |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 7 |
Pages of publication | 2890 - 2897 |
a | 21.5783 ± 0.0013 Å |
b | 10.3365 ± 0.0006 Å |
c | 5.9411 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1325.13 ± 0.12 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291.15 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0398 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0911 |
Weighted residual factors for all reflections included in the refinement | 0.0955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/4029259.html
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