Information card for entry 4507551

Structure parameters

• Common name: diammonium glicyrrhizinate 3.0 DMF 2.0 water solvate
• Chemical name: 3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic diammonium salt water/DMF solvate
• Formula: C51 H93 N5 O21
• Calculated formula: C51 H92.68 N5 O21
• Title of publication: Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts
• Authors of publication: Tykarska, Ewa; Gdaniec, Maria
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1301
• a: 9.855 ± 0.0004 Å
• b: 11.2823 ± 0.0003 Å
• c: 52.659 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5855 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No