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Information card for entry 2228626
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| Coordinates | 2228626.cif |
|---|---|
| Structure factors | 2228626.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 6-[Bis(ethoxycarbonyl)methyl]-6-deoxy-1,2;3,4-di-<i>O</i>-isopropylidene- D-galactopyranose |
|---|---|
| Formula | C19 H30 O9 |
| Calculated formula | C19 H30 O9 |
| SMILES | O1[C@@H]2OC(O[C@@H]2[C@H]2OC(O[C@H]2[C@H]1CC(C(=O)OCC)C(=O)OCC)(C)C)(C)C |
| Title of publication | 6-[Bis(ethoxycarbonyl)methyl]-6-deoxy-1,2;3,4-di-<i>O</i>-isopropylidene-<small>D</small>-galactopyranose |
| Authors of publication | Doboszewski, Bogdan; da Silva, Paulo R.; Nazarenko, Alexander Y.; Nemykin, Victor N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3217 - o3218 |
| a | 8.3287 ± 0.0004 Å |
| b | 10.8895 ± 0.0004 Å |
| c | 23.7706 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2155.9 ± 0.2 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0548 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2228626.cif 2228626.hkl |
| 181207 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/86. |
2228626.cif 2228626.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228626.cif 2228626.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228626.cif 2228626.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. | 2228626.cif 2228626.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228626.cif 2228626.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228626.cif 2228626.hkl |
| 5806 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228622, 2228623, 2228624, 2228625, 2228626, 2228627, 2228628, 2228629, 2228630, 2228631 via cif-deposit CGI script. |
2228626.cif |
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Users of the data should acknowledge the original authors of the
structural data.