Information card for entry 4028983

Structure parameters

• Formula: C20 H30 O6
• Calculated formula: C20 H30 O6
• SMILES: O1[C@H]([C@H](O)[C@@](O)(CCC[C@H](C2=CC(=O)C(O2)(C)C)C)C)CC(=CC1=O)C
• Title of publication: Aphadilactones A-D, Four Diterpenoid Dimers with DGAT Inhibitory and Antimalarial Activities from a Meliaceae Plant.
• Authors of publication: Liu, Jia; He, Xiu-Feng; Wang, Gai-Hong; Merino, Emilio F.; Yang, Sheng-Ping; Zhu, Rong-Xiu; Gan, Li-She; Zhang, Hua; Cassera, Maria B.; Wang, He-Yao; Kingston, David G. I.; Yue, Jian-Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 2
• Pages of publication: 599 - 607
• a: 5.84 ± 0.0001 Å
• b: 9.7694 ± 0.0001 Å
• c: 17.7381 ± 0.0002 Å
• α: 90°
• β: 90.395 ± 0.001°
• γ: 90°
• Cell volume: 1011.99 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No