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Information card for entry 4038486
Preview
| Coordinates | 4038486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 Br O3 |
|---|---|
| Calculated formula | C17 H17 Br 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 | 9.2435 ± 0.0012 Å |
| b | 11.0703 ± 0.0013 Å |
| c | 15.3163 ± 0.0017 Å |
| α | 90° |
| β | 102.368 ± 0.004° |
| γ | 90° |
| Cell volume | 1530.9 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
4038486.cif |
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Users of the data should acknowledge the original authors of the
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