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Information card for entry 1555153
Preview
| Coordinates | 1555153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H16 O2 |
|---|---|
| Calculated formula | C17 H16 O2 |
| SMILES | O1[C@@H](c2cc3c(cc2)cccc3)[C@@H]2COCC=C2C1 |
| Title of publication | Diastereoselective bicyclization of enynols via gold catalysis |
| Authors of publication | Cecchini, Chiara; Cera, Gianpiero; Lanzi, Matteo; Marchiò, Luciano; Malacria, Max; Maestri, Giovanni |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 20 |
| Pages of publication | 3584 |
| a | 7.3872 ± 0.0002 Å |
| b | 10.8747 ± 0.0003 Å |
| c | 16.4977 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1325.32 ± 0.06 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0307 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238351 (current) | 2019-11-24 | cif/ Adding structures of 1555152, 1555153 via cif-deposit CGI script. |
1555153.cif |
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Users of the data should acknowledge the original authors of the
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