Information card for entry 1518184

Structure parameters

• Formula: C24 H27 O9.5
• Calculated formula: C24 H27 O9.5
• SMILES: O1[C@@]2(O)[C@]3(O)c4c(C(=O)[C@H]2[C@@H](c2c(oc(=O)cc2OC)C3)[C@@H]1CC)c(O)c(c(OC)c4)CC.O
• Title of publication: Delitschiapyrone A, a pyrone-naphthalenone adduct bearing a new pentacyclic ring system from the leaf-associated fungus Delitschia sp. FL1581.
• Authors of publication: Luo, Jian-Guang; Wang, Xiao-Bing; Xu, Ya-Ming; U'Ren, Jana M; Arnold, A. Elizabeth; Kong, Ling-Yi; Gunatilaka, A. A. Leslie
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 5944 - 5947
• a: 14.1928 ± 0.0013 Å
• b: 17.7023 ± 0.0016 Å
• c: 10.7282 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2695.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.99 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No