Information card for entry 1560291

Structure parameters

• Formula: C20 H28 O9
• Calculated formula: C20 H28 O9
• SMILES: C1(=O)c2c(/C=C/C[C@@H]([C@@H](C(=O)C[C@@H](C[C@H](C)O1)O)O)O)cc(cc2O)OC.CO
• Title of publication: Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.
• Authors of publication: Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 483 - 494
• a: 5.7391 ± 0.0004 Å
• b: 10.8943 ± 0.0007 Å
• c: 32.111 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2007.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0574
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No