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Information card for entry 2241211
Preview
| Coordinates | 2241211.cif |
|---|---|
| Structure factors | 2241211.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2,3,5-di-<i>O</i>-Methylene-α-<i>D</i>-xylofuranose |
|---|---|
| Formula | C7 H10 O5 |
| Calculated formula | C7 H10 O5 |
| SMILES | O1[C@@H]2COCO[C@@H]2[C@H]2OCO[C@@H]12 |
| Title of publication | Crystal structure of 1,2,3,5-di-<i>O</i>-methylene-α-<small>D</small>-xylofuranose |
| Authors of publication | Tiritiris, Ioannis; Tussetschläger, Stefan; Kantlehner, Willi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o889 |
| a | 8.5509 ± 0.0011 Å |
| b | 8.6327 ± 0.0011 Å |
| c | 20.057 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1480.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241211.cif 2241211.hkl |
| 169807 | 2015-10-29 | cif/ hkl/ Adding structures of 2241211 via cif-deposit CGI script. |
2241211.cif 2241211.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.