Information card for entry 1562891

Structure parameters

• Formula: C26 H32 O9
• Calculated formula: C26 H32 O9
• SMILES: O[C@@H]1CC(=O)C(C2=C(O)C(=O)[C@]3([C@H]([C@]12C)CC(=C)[C@@]1([C@@]3(C(=O)OC)C(=O)[C@H](OC1=O)C)C)C)(C)C
• Title of publication: Terpenoids from the Marine-Derived Fungus <i>Aspergillus</i> sp. RR-YLW-12, Associated with the Red Alga <i>Rhodomela confervoides</i>.
• Authors of publication: Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun
• Journal of publication: Journal of natural products
• Year of publication: 2021
• a: 8.548 ± 0.004 Å
• b: 11.424 ± 0.003 Å
• c: 12.563 ± 0.003 Å
• α: 90°
• β: 91.3 ± 0.03°
• γ: 90°
• Cell volume: 1226.5 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1229
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No