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Information card for entry 1556112
Preview
| Coordinates | 1556112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 O5 |
|---|---|
| Calculated formula | C20 H20 O5 |
| SMILES | O1[C@H]2[C@@H]([C@H](c3ccc4ccccc4c3)[C@@H]1C(=O)OC)[C@@H]2C(=O)OCC |
| Title of publication | Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure. |
| Authors of publication | Weisser, Roland; Yue, Weimin; Reiser, Oliver |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 24 |
| Pages of publication | 5353 - 5356 |
| a | 5.7104 ± 0.0005 Å |
| b | 14.5249 ± 0.0016 Å |
| c | 20.567 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1705.9 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 ± 1 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 | 0.0913 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.694 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243474 (current) | 2019-11-26 | cif/ Adding structures of 1556112 via cif-deposit CGI script. |
1556112.cif |
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Users of the data should acknowledge the original authors of the
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