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Information card for entry 7133432
Preview
Coordinates | 7133432.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H14 F N O2 |
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Calculated formula | C18 H14 F N O2 |
Title of publication | Palladium-catalyzed 1,1-aminoxylation of 3-butenoic acid with 2-alkynylanilines. |
Authors of publication | Zhang, Jinhui; Mao, Lihua; Liu, Chao; Tan, Xiangwen; Wu, Jiahao; Wei, Xuefeng; Wu, Wanqing; Jiang, Huanfeng |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 70 |
Pages of publication | 9404 - 9407 |
a | 9.277 ± 0.0006 Å |
b | 9.5602 ± 0.0006 Å |
c | 9.7665 ± 0.0006 Å |
α | 104.289 ± 0.002° |
β | 110.312 ± 0.002° |
γ | 107.388 ± 0.002° |
Cell volume | 713.26 ± 0.08 Å3 |
Cell temperature | 170 K |
Ambient diffraction temperature | 170 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1178 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1009 |
Weighted residual factors for all reflections included in the refinement | 0.1309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/7133432.html
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Users of the data should acknowledge the original authors of the
structural data.