Information card for entry 2005044

Structure parameters

• Common name: 1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose
• Chemical name: 1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose
• Formula: C22 H24 O6
• Calculated formula: C22 H24 O6
• SMILES: O([C@H]1OC[C@@H]2OC(O[C@@H]2[C@H]1OC(=O)c1ccccc1)(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: 8.106 ± 0.004 Å
• b: 11.353 ± 0.006 Å
• c: 11.546 ± 0.006 Å
• α: 90°
• β: 106.83 ± 0.04°
• γ: 90°
• Cell volume: 1017 ± 0.9 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.1059
• Goodness-of-fit parameter for all reflections: 1.085
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No