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Information card for entry 1546766
Preview
| Coordinates | 1546766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H20 O4 |
|---|---|
| Calculated formula | C22 H20 O4 |
| SMILES | c1(ccccc1)CO[C@H]1C=C[C@@H]2C(=C[C@H]1O2)C(=O)c1ccc(cc1)OC |
| Title of publication | Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals |
| Authors of publication | Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 5.8597 ± 0.0006 Å |
| b | 8.435 ± 0.0008 Å |
| c | 35.607 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1759.9 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 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 | 0.0555 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199627 (current) | 2017-08-08 | cif/ Adding structures of 1546765, 1546766 via cif-deposit CGI script. |
1546766.cif |
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Users of the data should acknowledge the original authors of the
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