Information card for entry 4507550

Structure parameters

• Common name: monocaesium glicyrrhizinate 3.79 propionic acid 3.21 water solvate
• Chemical name: 3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monocaesium salt water/acetic acid solvate
• Formula: C53.38 H90.16 Cs O26.79
• Calculated formula: C53.379 H89.758 Cs O26.793
• 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: 10.673 ± 0.0002 Å
• b: 11.1804 ± 0.0002 Å
• c: 51.5673 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6153.4 ± 0.2 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: 0.044
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No