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Information card for entry 7155846
Preview
| Coordinates | 7155846.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 O6 |
|---|---|
| Calculated formula | C11 H14 O6 |
| SMILES | O1C[C@]2(OC(=C([C@@]2(O)C1)C(=O)C)C)C(=O)OC.O1C[C@@]2(OC(=C([C@]2(O)C1)C(=O)C)C)C(=O)OC |
| Title of publication | Cerium-Catalyzed, Oxidative Synthesis of Annulated, Tetrasubstituted Dihydrofuran-Derivatives |
| Authors of publication | Geibel, Irina; Schmidtmann, Marc; Christoffers, Jens |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 7.7439 ± 0.0003 Å |
| b | 7.8264 ± 0.0003 Å |
| c | 9.1707 ± 0.0003 Å |
| α | 76.972 ± 0.0013° |
| β | 81.6747 ± 0.0014° |
| γ | 83.9592 ± 0.0014° |
| Cell volume | 534.27 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0316 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199923 (current) | 2017-08-24 | cif/ Adding structures of 7155846 via cif-deposit CGI script. |
7155846.cif |
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Users of the data should acknowledge the original authors of the
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