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Information card for entry 7247093
Preview
Coordinates | 7247093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H26 F2 N3 O4 P |
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Calculated formula | C36 H26 F2 N3 O4 P |
Title of publication | “On-water” defluorophosphorylation of trifluoromethylated enones with phosphine oxides |
Authors of publication | Chu, Xue-Qiang; Sun, Li-Wen; Ma, Cheng; Chen, Jia-Wei; Chen, Yu-Lan; Ni, Shao-Fei; Zhu, Ming-Quan; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang |
Journal of publication | Green Chemistry |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 16 |
Pages of publication | 6489 - 6497 |
a | 13.606 ± 0.0003 Å |
b | 16.1758 ± 0.0004 Å |
c | 14.0833 ± 0.0003 Å |
α | 90° |
β | 98.198 ± 0.002° |
γ | 90° |
Cell volume | 3067.89 ± 0.12 Å3 |
Cell temperature | 149.99 ± 0.1 K |
Ambient diffraction temperature | 149.99 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0475 |
Residual factor for significantly intense reflections | 0.0417 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1131 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7247093.html
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Users of the data should acknowledge the original authors of the
structural data.