Information card for entry 2109011

Structure parameters

• Formula: C32 H50.57 O4
• Calculated formula: C32 H50.568 O4
• Title of publication: Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives
• Authors of publication: Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 7.1965 ± 0.0002 Å
• b: 13.3283 ± 0.0002 Å
• c: 15.0866 ± 0.0003 Å
• α: 92.599 ± 0.001°
• β: 94.416 ± 0.002°
• γ: 98.623 ± 0.002°
• Cell volume: 1424.08 ± 0.05 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130.15 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes