Information card for entry 1543676

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: C12=C[C@]3([C@@](C[C@@]1([C@@H](C(=O)C=C2)C)C)(OC[C@@H]3C)O)O
• Title of publication: Eremophilane Sesquiterpenes from an Endophytic FungusPericoniaSpecies
• Authors of publication: Liu, Jimei; Zhang, Dewu; Zhang, Min; Zhao, Jinlian; Chen, Ridao; Wang, Nan; Zhang, Dan; Dai, Jungui
• Journal of publication: Journal of Natural Products
• Year of publication: 2016
• a: 7.416 ± 0.003 Å
• b: 10.2 ± 0.005 Å
• c: 18.519 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1400.8 ± 1.2 ų
• Cell temperature: 293 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: 0.0406
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No