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Information card for entry 1550134
Preview
| Coordinates | 1550134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 F2 O |
|---|---|
| Calculated formula | C19 H18 F2 O |
| SMILES | Fc1ccc(cc1)[C@H]1C(=C([C@H](O)CC1)C)c1ccc(F)cc1.Fc1ccc(cc1)[C@@H]1C(=C([C@@H](O)CC1)C)c1ccc(F)cc1 |
| Title of publication | A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture |
| Authors of publication | Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 26.8452 ± 0.0002 Å |
| b | 26.8452 ± 0.0002 Å |
| c | 11.2309 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 7009.36 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0463 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211694 (current) | 2018-10-30 | cif/ Adding structures of 1550131, 1550132, 1550133, 1550134, 1550135, 1550136 via cif-deposit CGI script. |
1550134.cif |
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Users of the data should acknowledge the original authors of the
structural data.