Information card for entry 2018699

Structure parameters

• Chemical name: Methyl 4-O-β-<i>D</i>-mannopyranosyl β-<i>D</i>-xylopyranoside
• Formula: C12 H22 O10
• Calculated formula: C12 H22 O10
• SMILES: O([C@@H]1OC[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H](O)[C@H]1O)C
• Title of publication: Methyl 4-O-β-<small>D</small>-mannopyranosyl β-<small>D</small>-xylopyranoside
• Authors of publication: Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o502 - o506
• a: 13.1578 ± 0.0006 Å
• b: 4.6755 ± 0.0002 Å
• c: 23.4908 ± 0.0011 Å
• α: 90°
• β: 95.112 ± 0.002°
• γ: 90°
• Cell volume: 1439.39 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes