Information card for entry 4506060

Structure parameters

• Common name: monoammonium beta-glycyrrhizate 3.53 methanol 1.82 water solvate
• Chemical name: 3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/methanol solvate
• Formula: C48.25 H94.09 N O24.3
• Calculated formula: C48.253 H90.012 N O24.294
• Title of publication: Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules
• Authors of publication: Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 2133
• a: 10.3718 ± 0.0002 Å
• b: 11.2995 ± 0.0002 Å
• c: 50.3536 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5901.25 ± 0.17 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: 0.0656
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No