Information card for entry 2005043

Structure parameters

• Common name: 1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose
• Chemical name: 1-O-benzyl-3,4-O-isopropylidene-β-L-arabinopyranose
• Formula: C15 H20 O5
• Calculated formula: C15 H20 O5
• SMILES: O([C@H]1OC[C@@H]2OC(O[C@@H]2[C@H]1O)(C)C)Cc1ccccc1
• Title of publication: 1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose
• Authors of publication: Popek, T.; Mazurek, J.; Lis, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1558 - 1563
• a: 12.565 ± 0.008 Å
• b: 5.692 ± 0.003 Å
• c: 10.584 ± 0.005 Å
• α: 90°
• β: 102.66 ± 0.05°
• γ: 90°
• Cell volume: 738.6 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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 all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.0796
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No