Information card for entry 2222760

Structure parameters

• Common name: lacto-N-biose I dihydrate
• Chemical name: 2-Acetamido-2-deoxy-3-<i>O</i>-β-D-galactopyranosyl-D- glucose dihydrate
• Formula: C14 H29 N O13
• Calculated formula: C14 H29 N O13
• Title of publication: 2-Acetamido-2-deoxy-3-<i>O</i>-β-<small>D</small>-galactopyranosyl-<small>D</small>-glucose dihydrate
• Authors of publication: Wada, Masahisa; Kobayashi, Kayoko; Nishimoto, Mamoru; Kitaoka, Motomitsu; Noguchi, Keiichi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1781 - o1782
• a: 8.284 ± 0.001 Å
• b: 12.841 ± 0.001 Å
• c: 17.503 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1861.9 ± 0.3 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes