Information card for entry 1501997

Structure parameters

• Formula: C25 H28 O9
• Calculated formula: C25 H28 O9
• SMILES: C1(=O)C=C2[C@]3([C@@H](C[C@@]4([C@@]56[C@]7([C@]8([C@](C[C@@]24[C@](C)(O8)O7)([C@]26CO2)C)O)[C@H](C)OC5=O)C)O3)C(C)(C)O1
• Title of publication: Dhilirolides A-D, meroterpenoids produced in culture by the fruit-infecting fungus Penicillium purpurogenum collected in Sri Lanka.
• Authors of publication: de Silva, E. Dilip; Williams, David E.; Jayanetti, Dinith R.; Centko, Ryan M.; Patrick, Brian O.; Wijesundera, Ravi L. C.; Andersen, Raymond J.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1174 - 1177
• a: 13.5779 ± 0.0005 Å
• b: 13.641 ± 0.0005 Å
• c: 15.0542 ± 0.0006 Å
• α: 65.339 ± 0.002°
• β: 65.488 ± 0.002°
• γ: 64.504 ± 0.002°
• Cell volume: 2191.1 ± 0.15 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No