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Information card for entry 7159481
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Coordinates | 7159481.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H8 Cl N3 O |
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Calculated formula | C12 H8 Cl N3 O |
Title of publication | Access to 2-pyridinones comprising enaminonitriles <i>via</i> AgOAc promoted cascade reactions of thioesters with aminomethylene malononitriles. |
Authors of publication | Zhu, Chen; Zhou, Jubao; Li, Tianxing; Yang, Jiaxin; Jin, Hui; Zhang, Lixin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 34 |
Pages of publication | 6881 - 6885 |
a | 11.1261 ± 0.0007 Å |
b | 7.8636 ± 0.0005 Å |
c | 25.4825 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2229.5 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1099 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/7159481.html
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