Information card for entry 1554254

Structure parameters

• Formula: C28 H36 O8
• Calculated formula: C28 H36 O8
• SMILES: [C@@H]1([C@@H]([C@@]2(C(=O)[C@H]1C(=O)C(=C2[C@@H]([C@@H](C)O)C)OC)C)C1=C(C(=O)[C@@](C)(/C=C/C=C/CC)O1)C(=O)OC)C
• Title of publication: Asperones A‒E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1‒15
• Authors of publication: Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 2432
• a: 13.986 ± 0.0008 Å
• b: 14.019 ± 0.0008 Å
• c: 28.0285 ± 0.0013 Å
• α: 98.119 ± 0.003°
• β: 91.053 ± 0.003°
• γ: 90.157 ± 0.003°
• Cell volume: 5439.5 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.1592
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.2928
• Weighted residual factors for all reflections included in the refinement: 0.3537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No