Information card for entry 1560289

Structure parameters

• Formula: C18 H22 O6
• Calculated formula: C18 H22 O6
• SMILES: C1(=O)c2c(CC(=O)CCC[C@@H](/C=C/C[C@H](C)O)O1)cc(cc2O)O
• 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: 5.41732 ± 0.00003 Å
• b: 15.13174 ± 0.00009 Å
• c: 20.13674 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1650.68 ± 0.017 ų
• Cell temperature: 99.98 ± 0.1 K
• Ambient diffraction temperature: 99.98 ± 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: 0.0294
• 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: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No