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Information card for entry 1552333
Preview
Coordinates | 1552333.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H13 Cl N2 O |
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Calculated formula | C18 H13 Cl N2 O |
SMILES | Clc1c(/C=C/c2n(c3ncccc3)c(=O)ccc2)cccc1 |
Title of publication | Rhodium(i)-catalyzed C6-selective C‒H alkenylation and polyenylation of 2-pyridones with alkenyl and conjugated polyenyl carboxylic acids |
Authors of publication | Zhao, Haoqiang; Xu, Xin; Luo, Zhenli; Cao, Lei; Li, Bohan; Li, Huanrong; Xu, Lijin; Fan, Qinghua; Walsh, Patrick J. |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 5.6055 ± 0.0008 Å |
b | 27.048 ± 0.003 Å |
c | 10.1964 ± 0.0014 Å |
α | 90° |
β | 105.96° |
γ | 90° |
Cell volume | 1486.4 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 199.99 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1059 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1552333.html
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