Information card for entry 1556710

Structure parameters

• Formula: C25 H32 O6
• Calculated formula: C25 H32 O6
• SMILES: O=C1O[C@@H]([C@]2(O)[C@@]31[C@]1(CC[C@H]4[C@@](C=CC(=O)OC4(C)C)([C@@H]1C[C@](C)(C3=C)C2=O)C)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: 8.10721 ± 0.00004 Å
• b: 9.16946 ± 0.00003 Å
• c: 15.13501 ± 0.00004 Å
• α: 90°
• β: 103.244 ± 0.0003°
• γ: 90°
• Cell volume: 1095.19 ± 0.007 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0272
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No