Information card for entry 1556714

Structure parameters

• Formula: C27 H32 O8
• Calculated formula: C27 H32 O8
• SMILES: O(C(=O)C)[C@H]1C2=C([C@@]3(CC[C@@]2([C@]24C(=C)[C@@]1(C(=O)[C@]4(O)[C@@H](OC2=O)C)C)C)C=CC(=O)OC3(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: 12.2786 ± 0.0001 Å
• b: 12.9947 ± 0.0001 Å
• c: 15.2581 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2434.53 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0296
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No