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Information card for entry 1552854
Preview
| Coordinates | 1552854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1-(1,1,2,2,8,8,8,8,8-Nonafluoro-8λ8-octa-3,5,7-triyn-1-yl)naphthalene |
|---|---|
| Formula | C18 H7 F9 |
| Calculated formula | C18 H7 F9 |
| SMILES | FC(F)(c1c2ccccc2ccc1)C(F)(F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Controllable double CF2-insertion into sp2 C–Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures |
| Authors of publication | Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 276 - 280 |
| a | 7.427 ± 0.002 Å |
| b | 7.782 ± 0.003 Å |
| c | 13.74 ± 0.005 Å |
| α | 89.382 ± 0.01° |
| β | 89.146 ± 0.01° |
| γ | 68.679 ± 0.01° |
| Cell volume | 739.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1222 |
| Residual factor for significantly intense reflections | 0.0956 |
| Weighted residual factors for significantly intense reflections | 0.2657 |
| Weighted residual factors for all reflections included in the refinement | 0.3183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552854.cif |
| 257300 | 2020-10-06 | cif/ Updating files of 1552854 Original log message: Adding full bibliography for 1552854.cif. |
1552854.cif |
| 247633 | 2020-02-04 | cif/ Updating files of 1552854 Original log message: Adding full bibliography for 1552854.cif. |
1552854.cif |
| 227513 | 2019-11-12 | cif/ Adding structures of 1552854 via cif-deposit CGI script. |
1552854.cif |
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Users of the data should acknowledge the original authors of the
structural data.