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Information card for entry 2017816
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| Coordinates | 2017816.cif |
|---|---|
| Structure factors | 2017816.hkl |
| Original IUCr paper | HTML |
| Common name | 4-deoxy-4-fluoro-β-D-glucopyranose |
|---|---|
| Chemical name | 4-Deoxy-4-fluoro-β-D-<i>ribo</i>-hexopyranose |
| Formula | C6 H11 F O5 |
| Calculated formula | C6 H11 F O5 |
| SMILES | OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1F)O)O |
| Title of publication | 4-Deoxy-4-fluoro-β-<small>D</small>-glucopyranose |
| Authors of publication | Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | o496 - o498 |
| a | 6.5323 ± 0.0002 Å |
| b | 9.2055 ± 0.0003 Å |
| c | 12.6007 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 757.72 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0257 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017816.cif 2017816.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017816.cif 2017816.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017816.cif 2017816.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. | 2017816.cif 2017816.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017816.cif 2017816.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017816.cif 2017816.hkl |
| 4124 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017816 via cif-deposit CGI script. |
2017816.cif |
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Users of the data should acknowledge the original authors of the
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