Information card for entry 2005923

Structure parameters

• Common name: 3-deoxy-Me-α-D-mannopyranoside
• Chemical name: 3-deoxy Methyl-α-D-arabino hexopyranoside
• Formula: C7 H14 O5
• Calculated formula: C7 H14 O5
• SMILES: O1[C@H](CO)[C@@H](O)C[C@H](O)[C@H]1OC
• Title of publication: Methyl 3-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranoside
• Authors of publication: Evdokimov, A. G.; Frolow, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 264 - 266
• a: 8.83 ± 0.002 Å
• b: 9.363 ± 0.002 Å
• c: 10.134 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 837.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0788
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections: 0.1197
• Weighted residual factors for significantly intense reflections: 0.1072
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for significantly intense reflections: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No