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Information card for entry 1508375
Preview
| Coordinates | 1508375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 1,2:5,6-Di-O-isopropylidene-3-O-tosyl-α-D-glucofuranose |
|---|---|
| Formula | C19 H26 O8 S |
| Calculated formula | C19 H26 O8 S |
| SMILES | O1[C@H]2[C@@H]([C@H]([C@H]1[C@H]1COC(O1)(C)C)OS(=O)(=O)c1ccc(cc1)C)OC(O2)(C)C |
| Title of publication | The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose |
| Authors of publication | Mamat, Constantin; Peppel, Tim; Köckerling, Martin |
| Journal of publication | Crystals |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | 105 - 109 |
| a | 9.7945 ± 0.0007 Å |
| b | 10.1945 ± 0.0007 Å |
| c | 21.306 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2127.4 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508375.cif |
| 201206 | 2017-09-25 | cif/ Moving the _publ_section_title data item out of the looped context in entries 1508375, 1508379, 2017164, 2202569, 2214842, 4020361, 7100301. |
1508375.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508375.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508375.cif |
| 68915 | 2012-11-24 | cif/ Adding structures of 1508375 via cif-deposit CGI script. |
1508375.cif |
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Users of the data should acknowledge the original authors of the
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