Information card for entry 1556712

Structure parameters

• Formula: C24 H30 N0 O6
• Calculated formula: C24 H30 O6
• SMILES: O=C1[C@]2([C@@]3(C(=C([C@]4(CC3)C(OC(=O)C=C4)(C)C)C)C[C@@](C2=C)(C)[C@H]1O)C)C(=O)OC
• 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: 17.78258 ± 0.00011 Å
• b: 7.75587 ± 0.00005 Å
• c: 15.80743 ± 0.0001 Å
• α: 90°
• β: 98.7572 ± 0.0006°
• γ: 90°
• Cell volume: 2154.74 ± 0.02 ų
• Cell temperature: 295.17 ± 0.1 K
• Ambient diffraction temperature: 295.17 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No