Information card for entry 4029233

Structure parameters

• Formula: C25 H28 O7
• Calculated formula: C25 H28 O7
• SMILES: C1(=O)CC2=C([C@H]3C[C@@]4([C@@]56[C@](C(=O)[C@](C[C@]24C(=O)C)(C6=C)C)([C@H](C)OC5=O)O3)C)C(C)(C)O1
• Title of publication: Dhilirolides E-N, Meroterpenoids Produced in Culture by the Fungus Penicillium purpurogenum Collected in Sri Lanka: Structure Elucidation, Stable Isotope Feeding Studies, and Insecticidal Activity.
• Authors of publication: Centko, Ryan M; Williams, David E; Patrick, Brian O; Akhtar, Yasmin; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Isman, Murray B; de Silva, E Dilip; Andersen, Raymond J
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 8
• Pages of publication: 3327 - 3335
• a: 11.464 ± 0.0007 Å
• b: 13.4589 ± 0.0008 Å
• c: 14.008 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2161.3 ± 0.2 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 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: 0.0267
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No