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Information card for entry 4130356
Preview
| Coordinates | 4130356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 O7 |
|---|---|
| Calculated formula | C20 H20 O7 |
| SMILES | O1[C@@H](CC[C@@H]1[C@H](O)C(=O)Oc1ccccc1)[C@@H](O)C(=O)Oc1ccccc1 |
| Title of publication | Tandem Olefin Metathesis/Oxidative Cyclization: Synthesis of Tetrahydrofuran Diols from Simple Olefins. |
| Authors of publication | Dornan, Peter K.; Lee, Daniel; Grubbs, Robert H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 20 |
| Pages of publication | 6372 - 6375 |
| a | 8.1289 ± 0.0011 Å |
| b | 24.59 ± 0.004 Å |
| c | 8.7228 ± 0.0012 Å |
| α | 90° |
| β | 99.753 ± 0.006° |
| γ | 90° |
| Cell volume | 1718.4 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4130356.cif |
| 240819 | 2019-11-25 | cif/ Adding structures of 4130356 via cif-deposit CGI script. |
4130356.cif |
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Users of the data should acknowledge the original authors of the
structural data.