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Information card for entry 7160701
Preview
| Coordinates | 7160701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H21 F3 O2 |
|---|---|
| Calculated formula | C18 H21 F3 O2 |
| Title of publication | Facile access to multi-substituted trifluoromethyl alkenes via dehydroxyfluorination of 3,3-difluoroallyl alcohols |
| Authors of publication | Li, Zhi-Qiang; Wang, Zaixin; Wang, Cheng-Qiang; Zhang, Jian; Feng, Chao |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 6.0625 ± 0.0005 Å |
| b | 11.513 ± 0.001 Å |
| c | 24.143 ± 0.002 Å |
| α | 90° |
| β | 93.21 ± 0.008° |
| γ | 90° |
| Cell volume | 1682.5 ± 0.2 Å3 |
| Cell temperature | 169.99 ± 0.1 K |
| Ambient diffraction temperature | 169.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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 |
|---|---|---|---|
| 301909 (current) | 2025-08-27 | cif/ Adding structures of 7160701 via cif-deposit CGI script. |
7160701.cif |
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Users of the data should acknowledge the original authors of the
structural data.