Information card for entry 2238882

Structure parameters

• 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 ų
• 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