Information card for entry 2222990

Structure parameters

• Chemical name: 19β,28-Epoxy-18α-olean-3β-ol
• Formula: C30 H50 O2
• Calculated formula: C30 H50 O2
• SMILES: O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@]13[C@@H]2[C@@H](OC1)C(C)(C)CC3)C)C
• Title of publication: 19β,28-Epoxy-18α-olean-3β-ol
• Authors of publication: Santos, R. C.; Pinto, R. M. A.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2088 - o2089
• a: 13.2824 ± 0.0002 Å
• b: 12.6702 ± 0.0002 Å
• c: 15.5236 ± 0.0003 Å
• α: 90°
• β: 94.999 ± 0.001°
• γ: 90°
• Cell volume: 2602.54 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0606
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes