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Information card for entry 4038485
Preview
| Coordinates | 4038485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 F O3 |
|---|---|
| Calculated formula | C17 H17 F O3 |
| Title of publication | Gold-Catalyzed Diastereoselective Formal Intermolecular [4 + 2 + 1] Cycloaddition of 1,3-Dien-8-yne with Diazo Ester. |
| Authors of publication | Wang, Yu-Jiang; Li, Xiao-Xiao; Chen, Zili |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 7.5228 ± 0.0008 Å |
| b | 8.6162 ± 0.0009 Å |
| c | 12.1657 ± 0.0012 Å |
| α | 73.415 ± 0.004° |
| β | 83.009 ± 0.004° |
| γ | 72.76 ± 0.004° |
| Cell volume | 721.2 ± 0.13 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 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 | 0.0622 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253109 (current) | 2020-06-12 | cif/ Adding structures of 4038484, 4038485, 4038486, 4038487, 4038488, 4038489, 4038490 via cif-deposit CGI script. |
4038485.cif |
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Users of the data should acknowledge the original authors of the
structural data.