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Information card for entry 7127216
Preview
Coordinates | 7127216.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H16 O4 |
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Calculated formula | C22 H16 O4 |
SMILES | O1C(=O)c2c(C(=O)OCC=C(c3cc4c(cc3)cccc4)C1)cccc2 |
Title of publication | Palladium-catalysed cyclisation of vinylethylene carbonates and anhydrides: a new approach to diverse medium-sized bislactones. |
Authors of publication | Dai, Qing-Song; Tao, Ying-Mao; Zhang, Xiang; Leng, Hai-Jun; Huang, Hua; Xiang, Peng; Li, Qing-Zhu; Wang, Qi-Wei; Li, Jun-Long |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2020 |
Journal volume | 56 |
Journal issue | 82 |
Pages of publication | 12439 - 12442 |
a | 4.857 ± 0.0004 Å |
b | 13.6775 ± 0.0014 Å |
c | 14.0943 ± 0.0012 Å |
α | 114.792 ± 0.009° |
β | 97.894 ± 0.007° |
γ | 91.103 ± 0.007° |
Cell volume | 838.88 ± 0.15 Å3 |
Cell temperature | 291.3 ± 0.6 K |
Ambient diffraction temperature | 291.3 ± 0.6 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0846 |
Residual factor for significantly intense reflections | 0.0745 |
Weighted residual factors for significantly intense reflections | 0.2093 |
Weighted residual factors for all reflections included in the refinement | 0.2242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/7127216.html
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Users of the data should acknowledge the original authors of the
structural data.