Information card for entry 7251835

Structure parameters

• Formula: C26 H47 O4.5
• Calculated formula: C26 H47 O4.5
• Title of publication: Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol
• Authors of publication: Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 14.5023 ± 0.0007 Å
• b: 7.7274 ± 0.0004 Å
• c: 22.8287 ± 0.0011 Å
• α: 90°
• β: 92.427 ± 0.002°
• γ: 90°
• Cell volume: 2556 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No