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Information card for entry 4030928
Preview
| Coordinates | 4030928.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O7 |
|---|---|
| Calculated formula | C15 H20 O7 |
| SMILES | [C@H]1([C@@H]([C@H]([C@H](O1)OC)O)OCc1ccccc1)[C@H](C(=O)OC)O |
| Title of publication | Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides. |
| Authors of publication | Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M. |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2015 |
| Journal volume | 80 |
| Journal issue | 8 |
| Pages of publication | 3777 - 3789 |
| a | 10.5288 ± 0.0003 Å |
| b | 11.2256 ± 0.0003 Å |
| c | 14.5218 ± 0.0003 Å |
| α | 87.88 ± 0.002° |
| β | 68.77 ± 0.002° |
| γ | 76.367 ± 0.002° |
| Cell volume | 1552.59 ± 0.07 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.2228 |
| Weighted residual factors for all reflections included in the refinement | 0.2377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178488 (current) | 2016-03-21 | cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/09. |
4030928.cif |
| 138277 | 2015-06-05 | cif/ Updating files of 4030927, 4030928, 4030929 Original log message: Adding full bibliography for 4030927--4030929.cif. |
4030928.cif |
| 135116 | 2015-04-08 | cif/ Adding structures of 4030928 via cif-deposit CGI script. |
4030928.cif |
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Users of the data should acknowledge the original authors of the
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