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Information card for entry 2226214
Preview
| Coordinates | 2226214.cif |
|---|---|
| Structure factors | 2226214.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | 6-deoxy-6-fluoro-D-galactitol and (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-6-fluorohexane-1,2,3,4,5-pentaol |
|---|---|
| Chemical name | 1-Deoxy-1-fluoro-L-galactitol |
| Formula | C6 H13 F O5 |
| Calculated formula | C6 H13 F O5 |
| SMILES | FC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO |
| Title of publication | 1-Deoxy-1-fluoro-<small>L</small>-galactitol |
| Authors of publication | Jenkinson, Sarah F.; Best, Daniel; Izumori, Ken; Wilson, Francis X.; Weymouth-Wilson, Alexander C.; Fleet, George W. J.; Thompson, Amber L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 6 |
| Pages of publication | o1330 |
| a | 4.7968 ± 0.0003 Å |
| b | 8.5957 ± 0.0005 Å |
| c | 9.8194 ± 0.0007 Å |
| α | 90° |
| β | 103.233 ± 0.003° |
| γ | 90° |
| Cell volume | 394.12 ± 0.04 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections | 0.0949 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9895 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2226214.cif 2226214.hkl |
| 181183 | 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 2/22/62. |
2226214.cif 2226214.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2226214.cif 2226214.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226214.cif 2226214.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. | 2226214.cif 2226214.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226214.cif 2226214.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2226214.cif 2226214.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226214.cif |
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Users of the data should acknowledge the original authors of the
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