Information card for entry 2108964

Structure parameters

• Common name: glycyrrhetinic acid isopropyl ester
• Formula: C33 H52 O4
• Calculated formula: C33 H52 O4
• Title of publication: Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester
• Authors of publication: Langer, Dominik; Wicher, Barbara; Tykarska, Ewa
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 3
• a: 13.1807 ± 0.0003 Å
• b: 13.2466 ± 0.0004 Å
• c: 17.2198 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3006.57 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 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: 0.0565
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No