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Information card for entry 7248007
Preview
Coordinates | 7248007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 Cl N3 O3 S |
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Calculated formula | C17 H16 Cl N3 O3 S |
Title of publication | An electron-donor–acceptor complex between two intermediates enables a N–N bond cleavage cascade process to access 2,3-difunctionalized pyridines |
Authors of publication | Liu, Ya-Zhou; Chen, Yu; Wang, Amu; Shen, Zhongke; Zhou, Xueting; Zhang, Jichao; Jian, Yinxiang; Ma, Xiaofeng |
Journal of publication | Green Chemistry |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 4 |
Pages of publication | 2280 - 2289 |
a | 11.4261 ± 0.0005 Å |
b | 9.6846 ± 0.0004 Å |
c | 16.4306 ± 0.0007 Å |
α | 90° |
β | 103.775 ± 0.004° |
γ | 90° |
Cell volume | 1765.87 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 6 |
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 | 0.0605 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.1036 |
Weighted residual factors for all reflections included in the refinement | 0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation probe | x-ray |
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/7248007.html
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Users of the data should acknowledge the original authors of the
structural data.