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Information card for entry 2234488
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| Coordinates | 2234488.cif |
|---|---|
| Structure factors | 2234488.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 3-Deoxy-1,2-di-<i>O</i>-isopropylidene-5-<i>O</i>-tosyl-<i>D</i>-<i>threo</i>- pentofuranose |
|---|---|
| Formula | C15 H20 O6 S |
| Calculated formula | C15 H20 O6 S |
| SMILES | S(=O)(=O)(OC[C@H]1O[C@H]2OC(O[C@H]2C1)(C)C)c1ccc(cc1)C |
| Title of publication | 3-Deoxy-1,2-di-<i>O</i>-isopropylidene-5-<i>O</i>-tosyl-<small>D</small>-<i>threo</i>-pentofuranose |
| Authors of publication | Doboszewski, Bogdan; e Silva, Maria J.; Nazarenko, Alexander Y.; Nemykin, Victor N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | o1109 - o1110 |
| a | 10.9397 ± 0.0001 Å |
| b | 9.4251 ± 0.0001 Å |
| c | 15.4833 ± 0.001 Å |
| α | 90° |
| β | 96.414 ± 0.007° |
| γ | 90° |
| Cell volume | 1586.46 ± 0.11 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2234488.cif 2234488.hkl |
| 181266 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/44. |
2234488.cif 2234488.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234488.cif 2234488.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234488.cif 2234488.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234488.cif 2234488.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234488.cif 2234488.hkl |
| 55766 | 2012-05-05 | cif/ Adding structures of 2234488 via cif-deposit CGI script. |
2234488.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.