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Information card for entry 7160398
Preview
| Coordinates | 7160398.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H13 F2 I O2 |
|---|---|
| Calculated formula | C11 H13 F2 I O2 |
| Title of publication | I<sub>2</sub>-mediated convenient ring-opening of simple <i>gem</i>-difluorocyclopropanes. |
| Authors of publication | Goto, Toshihito; Shirai, Sakuya; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Yamazaki, Takashi |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 13 |
| Pages of publication | 3163 - 3170 |
| a | 8.0439 ± 0.0015 Å |
| b | 6.928 ± 0.0013 Å |
| c | 11.632 ± 0.003 Å |
| α | 90° |
| β | 100.98 ± 0.02° |
| γ | 90° |
| Cell volume | 636.4 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0568 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299111 (current) | 2025-04-05 | cif/ Updating files of 7160398 Original log message: Adding full bibliography for 7160398.cif. |
7160398.cif |
| 297930 | 2025-03-01 | cif/ Adding structures of 7160398 via cif-deposit CGI script. |
7160398.cif |
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Users of the data should acknowledge the original authors of the
structural data.