Information card for entry 2006427

Structure parameters

• Chemical name: methyl 2-O-α-D-mannopyranosyl-β-D-glucopyranoside.
• Formula: C13 H24 O11
• Calculated formula: C13 H24 O11
• SMILES: [C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC
• Title of publication: Methyl 2-<i>O</i>-α-<small>D</small>-Mannopyranosyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Eriksson, Lars; Stenutz, Roland; Widmalm, Gőran
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1105 - 1107
• a: 9.3767 ± 0.0014 Å
• b: 10.6508 ± 0.0008 Å
• c: 15.825 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1580.4 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0801
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No