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Information card for entry 2010633
Preview
| Coordinates | 2010633.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose |
|---|---|
| Formula | C11 H13 F O4 |
| Calculated formula | C11 H13 F O4 |
| SMILES | O[C@@H]1[C@H](O[C@@H](c2ccc(F)cc2)[C@@H]1O)CO |
| Title of publication | 1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions |
| Authors of publication | Bats, Jan W.; Parsch, Jörg; Engels, Joachim W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 201 - 205 |
| a | 6.7109 ± 0.0014 Å |
| b | 6.7653 ± 0.0007 Å |
| c | 22.846 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1037.2 ± 0.3 Å3 |
| Cell temperature | 135 ± 2 K |
| Ambient diffraction temperature | 135 ± 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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