Information card for entry 2004084

Structure parameters

• Chemical name: methyl 2,2^1^-anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]- α-D-allopyranoside
• Formula: C16 H20 O5
• Calculated formula: C16 H20 O5
• SMILES: O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H]2[C@H]1OCC2)C
• Title of publication: Methyl 2,2^1^-Anhydro-4,6-<i>O</i>-benzylidene-3-deoxy-3-<i>C</i>-[(<i>R</i>)-2-hydroxyethyl]-α-<small>D</small>-<i>allo</i>-pyranoside at 173 K
• Authors of publication: Linden, A.; Lee, C. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 11
• Pages of publication: 2320 - 2322
• a: 11.529 ± 0.004 Å
• b: 17.725 ± 0.005 Å
• c: 7.172 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1465.6 ± 1.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• 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: 0.0777
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0399
• Goodness-of-fit parameter for significantly intense reflections: 1.598
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes