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Information card for entry 7160602
Preview
| Coordinates | 7160602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H25 F3 O |
|---|---|
| Calculated formula | C26 H25 F3 O |
| Title of publication | Dual Photoredox-/Palladium-Catalyzed Three-component Reaction for Synthesis of Trifluoromethylated allylic alcohols |
| Authors of publication | Wang, Xiao-Lin; Rupa, Kavuri; Zheng, Sheng-Cai; Zhao, Xiaoming |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.6418 ± 0.0005 Å |
| b | 10.6417 ± 0.0007 Å |
| c | 11.9051 ± 0.0007 Å |
| α | 110.343 ± 0.002° |
| β | 93.003 ± 0.002° |
| γ | 114.109 ± 0.002° |
| Cell volume | 1018.1 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1464 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300168 (current) | 2025-06-24 | cif/ Adding structures of 7160602 via cif-deposit CGI script. |
7160602.cif |
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Users of the data should acknowledge the original authors of the
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