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Information card for entry 7157367
Preview
| Coordinates | 7157367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | {1-(Cyclohexyloxy)-1,3,3a,9a-tetrahydrofuro[3,4-b][1,4]benzodioxin-1- yl}methanol |
|---|---|
| Formula | C19 H26 O5 |
| Calculated formula | C19 H26 O5 |
| SMILES | O1C[C@H]2OCc3ccccc3CO[C@@H]2[C@@]1(OC1CCCCC1)CO |
| Title of publication | β-Selective xylulofuranosylation via a conformationally-restricted glycosyl donor. |
| Authors of publication | Huang, Bo-Shun; Lowary, Todd L. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 12 |
| Pages of publication | 2264 - 2273 |
| a | 5.3125 ± 0.0002 Å |
| b | 12.3867 ± 0.0005 Å |
| c | 13.7161 ± 0.0006 Å |
| α | 90° |
| β | 90.529 ± 0.003° |
| γ | 90° |
| Cell volume | 902.54 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0966 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.2137 |
| Weighted residual factors for all reflections included in the refinement | 0.2221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157367.cif |
| 250374 | 2020-04-05 | cif/ Updating files of 7157367 Original log message: Adding full bibliography for 7157367.cif. |
7157367.cif |
| 248561 | 2020-02-29 | cif/ Adding structures of 7157367 via cif-deposit CGI script. |
7157367.cif |
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Users of the data should acknowledge the original authors of the
structural data.