Information card for entry 1554255

Structure parameters

• Chemical name: 15-13
• Formula: C28 H38 O9
• Calculated formula: C28 H38 O9
• SMILES: O1C(=C(C(=O)[C@]1(/C=C/C=C/CC)C)C(=O)OC)[C@@H]1[C@H]([C@@H]2C(=O)[C@]1(C(=C(OC)C2=O)[C@@H]([C@H](O)C)C)C)C.O
• 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: 8.3949 ± 0.0009 Å
• b: 15.0525 ± 0.0016 Å
• c: 22.267 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2813.8 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0338
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No