Information card for entry 2020208

Structure parameters

• Common name: raffinose 4.433-hydrate
• Chemical name: <i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 → 6)-α-<i>D</i>-glucopyranosyl-(1 → 2)-β-<i>D</i>-fructofuranose 4.433-hydrate
• Formula: C18 H40.866 O20.433
• Calculated formula: C18 H40.866 O20.433
• Title of publication: Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K
• Authors of publication: Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• a: 8.91348 ± 0.00016 Å
• b: 12.2915 ± 0.0002 Å
• c: 23.6567 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.83 ± 0.1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0479
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes