Information card for entry 1558883

Structure parameters

• Formula: C20 H33 O5.5
• Calculated formula: C20 H33 O5.5
• SMILES: OC(=O)[C@]1(CCC[C@@]2([C@]3(O)[C@](O)(CC[C@@]12O)C[C@@](CC3)(C=C)C)C)C.O
• Title of publication: Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.
• Authors of publication: Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 8
• Pages of publication: 2528 - 2536
• a: 25.917 ± 0.003 Å
• b: 12.6548 ± 0.0016 Å
• c: 13.9501 ± 0.0015 Å
• α: 90°
• β: 118.868 ± 0.004°
• γ: 90°
• Cell volume: 4006.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2491
• Weighted residual factors for all reflections included in the refinement: 0.3021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No