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Information card for entry 1550135
Preview
| Coordinates | 1550135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H32 O9 |
|---|---|
| Calculated formula | C24 H32 O9 |
| SMILES | COC(=O)[C@@H]1[C@@H]2C(=C3[C@]4(C)[C@H]1[C@H](OC)O[C@@H]4C[C@@H]1[C@H]3C3([C@H](CC1=C)O)OCCO3)OCCO2 |
| 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 | 11.1125 ± 0.0004 Å |
| b | 8.0779 ± 0.0003 Å |
| c | 13.1558 ± 0.0005 Å |
| α | 90° |
| β | 98.011 ± 0.002° |
| γ | 90° |
| Cell volume | 1169.41 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1550135.cif |
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Users of the data should acknowledge the original authors of the
structural data.