Information card for entry 2017518

Structure parameters

• Chemical name: Methyl β-D-galactopyranosyl-(1→4)-α-D-mannopyranoside methanol 0.375-solvate
• Formula: C13.375 H25.5 O11.375
• Calculated formula: C13 H24 O11
• SMILES: [C@H]1([C@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O)O)O)OC
• Title of publication: Methyl 4-<i>O</i>-β-<small>D</small>-galactopyranosyl α-<small>D</small>-mannopyranoside methanol 0.375-solvate
• Authors of publication: Hu, Xiaosong; Pan, Qingfeng; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o67 - o70
• a: 20.1789 ± 0.0004 Å
• b: 20.1789 ± 0.0004 Å
• c: 8.4712 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3449.37 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes