Information card for entry 2003450

Structure parameters

• Common name: α,α-galactotrehalose
• Chemical name: α-D-galactopyranosyl α-D-galactopyranoside
• Formula: C12 H22 O11
• Calculated formula: C12 H22 O11
• SMILES: O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO
• Title of publication: α,α-<i>galacto</i>-Trehalose
• Authors of publication: Linden, A.; Lee, C. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1012 - 1016
• a: 11.071 ± 0.003 Å
• b: 18.283 ± 0.003 Å
• c: 6.865 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1389.6 ± 0.9 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0364
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0306
• Goodness-of-fit parameter for significantly intense reflections: 1.949
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes