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Information card for entry 2238882
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| Coordinates | 2238882.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (-)-Benzyl 2,3-dideoxy-β-<i>D</i>-<i>erythro</i>-hex-2-enopyranoside |
|---|---|
| Formula | C13 H16 O4 |
| Calculated formula | C13 H16 O4 |
| SMILES | OC[C@H]1O[C@H](C=C[C@H]1O)OCc1ccccc1 |
| Title of publication | ({-})-Benzyl 2,3-dideoxy-β-<small>D</small>-<i>erythro</i>-hex-2-enopyranoside |
| Authors of publication | Ohba, Shigeru; Okazaki, Hayato; Ueda, Yuji; Hanaya, Kengo; Shoji, Mitsuru; Sugai, Takeshi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1811 |
| a | 19.5 ± 0.009 Å |
| b | 5.291 ± 0.002 Å |
| c | 6.0809 ± 0.0015 Å |
| α | 90° |
| β | 94.27 ± 0.03° |
| γ | 90° |
| Cell volume | 625.7 ± 0.4 Å3 |
| Cell temperature | 292 K |
| Ambient diffraction temperature | 292 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.2547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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