Information card for entry 1506442

Structure parameters

• Chemical name: 15-hydroxy-10(14)-oplopen-4-one
• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: O=C([C@H]1CC[C@@H]2[C@@H]1[C@@H](CCC2=C)C(C)C)CO
• Title of publication: Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.
• Authors of publication: Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime
• Journal of publication: Journal of natural products
• Year of publication: 2005
• Journal volume: 68
• Journal issue: 4
• Pages of publication: 523 - 531
• a: 5.441 ± 0.001 Å
• b: 14.886 ± 0.003 Å
• c: 17.243 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1396.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0411
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No