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Information card for entry 7129450
Preview
Coordinates | 7129450.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3b-9 |
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Formula | C11 H10 N O |
Calculated formula | C10.4 H8 N1.6 O1.6 |
Title of publication | Coordination Effect Enabled Palladium-Catalyzed Regioselective O-Alkylation of 2-Pyridones |
Authors of publication | Lu, Zhiqiang; li, yanzhi; ru, yi; yang, shujian; hao, chu; zuo, mengke; jiao, rongkai; Wu, Weilong; Zhou, Yan; Yao, Hui; huang, nianyu; Fu, Yuqin |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 7.4761 ± 0.0003 Å |
b | 18.294 ± 0.0007 Å |
c | 8.6517 ± 0.0004 Å |
α | 90° |
β | 109.547 ± 0.005° |
γ | 90° |
Cell volume | 1115.08 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0705 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.1175 |
Weighted residual factors for all reflections included in the refinement | 0.1229 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
Diffraction radiation probe | x-ray |
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/7129450.html
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Users of the data should acknowledge the original authors of the
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