Information card for entry 2014368

Structure parameters

• Common name: methyl β-L-lactoside
• Chemical name: Methyl 4-O-β-L-galactopyranosyl-β-D-glucopyranoside
• Formula: C13 H24 O11
• Calculated formula: C13 H24 O11
• SMILES: [C@H]1([C@H]([C@@H]([C@@H]([C@H](CO)O1)O)O)O)O[C@H]1[C@@H]([C@H]([C@H](OC)O[C@@H]1CO)O)O
• Title of publication: Methyl 4-<i>O</i>-β-<small>L</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside (methyl β-<small>L</small>-lactoside)
• Authors of publication: Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o82 - o85
• a: 4.7087 ± 0.0004 Å
• b: 14.1428 ± 0.0012 Å
• c: 23.2401 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1547.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes