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Information card for entry 2241365
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| Coordinates | 2241365.cif |
|---|---|
| Structure factors | 2241365.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Deoxy-α-<i>L</i>-psicofuranose |
|---|---|
| Formula | C6 H12 O5 |
| Calculated formula | C6 H12 O5 |
| SMILES | OC[C@@]1(O)O[C@H]([C@H](O)[C@@H]1O)C |
| Title of publication | Crystal structure of 6-deoxy-α-<small>L</small>-psicofuranose |
| Authors of publication | Yoshihara, Akihide; Ishii, Tomohiko; Kamakura, Tatsuya; Taguchi, Hiroaki; Fukada, Kazuhiro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o993 - o994 |
| a | 5.7853 ± 0.0003 Å |
| b | 8.9442 ± 0.0005 Å |
| c | 14.3528 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 742.68 ± 0.07 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241365.cif 2241365.hkl |
| 170599 | 2015-11-29 | cif/ hkl/ Adding structures of 2241365 via cif-deposit CGI script. |
2241365.cif 2241365.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.