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Information card for entry 2206766
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| Coordinates | 2206766.cif |
|---|---|
| Structure factors | 2206766.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-O-benzyl-3,4-O-dibenzoyl-1-thio-β-L-fucopyranoside |
|---|---|
| Formula | C28 H28 O6 S |
| Calculated formula | C28 H28 O6 S |
| SMILES | S([C@H]1O[C@H]([C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OCc1ccccc1)C)C |
| Title of publication | Methyl 3,4-<i>O</i>-dibenzoyl-2-<i>O</i>-benzyl-1-thio-β-<small>L</small>-fucopyranoside |
| Authors of publication | Laurent F. Bornaghi; Nicholas B. Drinnan; Tracie Ramsdale; Peter C. Healy; Alan R. White |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | o2899 - o2901 |
| a | 11.725 ± 0.002 Å |
| b | 20.396 ± 0.003 Å |
| c | 11.04 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2640.1 ± 0.8 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295.2 K |
| Number of distinct elements | 4 |
| 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 | 0.0932 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1209 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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