Information card for entry 2018358

Structure parameters

• Chemical name: Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-xylopyranoside
• Formula: C12 H22 O10
• Calculated formula: C12 H22 O10
• SMILES: CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O
• Title of publication: Disorder and conformational analysis of methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-xylopyranoside
• Authors of publication: Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o7 - o11
• a: 13.7878 ± 0.0014 Å
• b: 22.892 ± 0.002 Å
• c: 4.6367 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1463.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.2399 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes