Information card for entry 1556711

Structure parameters

• Formula: C27 H32 O8
• Calculated formula: C27 H32 O8
• SMILES: O[C@]12C(=O)O[C@@]3([C@@H](OC(=O)C)C4=C([C@]5(C=CC(=O)C5(C)C)CC[C@]4(C)[C@]1(C3=C)C(=O)O[C@@H]2C)C)C
• Title of publication: Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus
• Authors of publication: Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui
• Journal of publication: Journal of Natural Products
• Year of publication: 2019
• a: 9.93659 ± 0.00004 Å
• b: 13.42999 ± 0.00005 Å
• c: 18.77544 ± 0.00008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2505.55 ± 0.017 ų
• Cell temperature: 99.8 ± 0.3 K
• Ambient diffraction temperature: 99.8 ± 0.3 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: 0.0249
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No