Information card for entry 1503686

Structure parameters

• Formula: C15 H26 O2
• Calculated formula: C15 H26 O2
• SMILES: OCC1=CC[C@@H]2[C@@H](CC[C@]2(CC1)C)C(O)(C)C
• Title of publication: Schisanwilsonenes A-C, anti-HBV Carotane sesquiterpenoids from the fruits of Schisandra wilsoniana.
• Authors of publication: Ma, Wen-Hui; Huang, Hai; Zhou, Pei; Chen, Dao-Feng
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 4
• Pages of publication: 676 - 678
• a: 11.605 ± 0.007 Å
• b: 12.335 ± 0.007 Å
• c: 20.051 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2870 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1769
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No