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Information card for entry 2241090
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| Coordinates | 2241090.cif |
|---|---|
| Structure factors | 2241090.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | β-<i>D,L</i>-fructose |
|---|---|
| Chemical name | 1,3,4,5,6-Pentahydroxyhexan-2-one |
| Formula | C6 H12 O6 |
| Calculated formula | C6 H12 O6 |
| SMILES | OC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.OC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O |
| Title of publication | Crystal structure of β-<small>D</small>,<small>L</small>-fructose |
| Authors of publication | Ishii, Tomohiko; Senoo, Tatsuya; Yoshihara, Akihide; Fukada, Kazuhiro; Sakane, Genta |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o719 - o720 |
| a | 5.43124 ± 0.00019 Å |
| b | 7.2727 ± 0.0003 Å |
| c | 10.1342 ± 0.0004 Å |
| α | 69.12 ± 0.002° |
| β | 83.907 ± 0.002° |
| γ | 78.381 ± 0.002° |
| Cell volume | 366.09 ± 0.03 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241090.cif 2241090.hkl |
| 181911 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241090.cif 2241090.hkl |
| 158344 | 2015-09-26 | cif/ hkl/ Adding structures of 2241090 via cif-deposit CGI script. |
2241090.cif 2241090.hkl |
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Users of the data should acknowledge the original authors of the
structural data.