Information card for entry 2005259

Structure parameters

• Formula: C32 H52 O2
• Calculated formula: C32 H52 O2
• SMILES: CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2[C@@H](C)[C@H](C)CC3)C)C)C1(C)C
• Title of publication: Rhoiptelenyl Acetate, a New Pentacyclic Triterpenoid from <i>Ficus thunbergii</i>
• Authors of publication: Kiyotani, T.; Kitajima, J.; Tanaka, Y.; Ageta, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2024 - 2026
• a: 12.032 ± 0.001 Å
• b: 7.742 ± 0.001 Å
• c: 15.148 ± 0.001 Å
• α: 90°
• β: 90.92 ± 0.01°
• γ: 90°
• Cell volume: 1410.9 ± 0.2 ų
• Cell temperature: 296 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 significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No