Information card for entry 1558881

Structure parameters

• Formula: C20 H31 Cl O5
• Calculated formula: C20 H31 Cl O5
• SMILES: O=C(O)[C@]1(C)[C@@]2(O)[C@@]([C@H]3CC[C@@](O)(CCl)[C@@H](C=C)[C@@H]3CC2)(CC[C@H]1O)C
• 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: 7.617 ± 0.0002 Å
• b: 11.8104 ± 0.0003 Å
• c: 22.6071 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2033.73 ± 0.09 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No