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Information card for entry 7240808
Preview
| Coordinates | 7240808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H8 F8 O2 |
|---|---|
| Calculated formula | C12 H8 F8 O2 |
| Title of publication | Electrochemically driven, cobalt–carbon bond-mediated direct intramolecular cyclic and acyclic perfluoroalkylation of (hetero)arenes using X(CF2)4X |
| Authors of publication | Cui, Luxia; Ono, Toshikazu; Hossain, Md. Jakir; Hisaeda, Yoshio |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 42 |
| Pages of publication | 24862 - 24866 |
| a | 6.8488 ± 0.0011 Å |
| b | 11.665 ± 0.002 Å |
| c | 15.489 ± 0.002 Å |
| α | 90° |
| β | 95.319 ± 0.014° |
| γ | 90° |
| Cell volume | 1232.1 ± 0.3 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.132 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.84 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240808.cif |
| 258027 | 2020-10-06 | cif/ Updating files of 7240808, 7240809, 7240810, 7240811 Original log message: Adding full bibliography for 7240808--7240811.cif. |
7240808.cif |
| 253602 | 2020-07-01 | cif/ Adding structures of 7240808, 7240809, 7240810, 7240811 via cif-deposit CGI script. |
7240808.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.