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Information card for entry 1550136
Preview
| Coordinates | 1550136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 O5 |
|---|---|
| Calculated formula | C18 H24 O5 |
| SMILES | O1C(=COCC1)[C@H]1C(=C(C)[C@H](O)C[C@H]1C(=C)C)C1=COCCO1 |
| 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 | 8.032 ± 0.0003 Å |
| b | 6.3518 ± 0.0002 Å |
| c | 16.1371 ± 0.0006 Å |
| α | 90° |
| β | 93.7797 ± 0.0015° |
| γ | 90° |
| Cell volume | 821.49 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.97 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0249 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0616 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0956 |
| Diffraction radiation wavelength | 1.54178 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. |
1550136.cif |
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Users of the data should acknowledge the original authors of the
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