Information card for entry 1560285

Structure parameters

• Formula: C19 H26 O7
• Calculated formula: C19 H26 O7
• SMILES: C1(=O)c2c(/C=C/C[C@@H]([C@H]([C@H](CCC[C@H](C)O1)O)O)O)cc(cc2O)OC
• 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: 35.002 ± 0.002 Å
• b: 5.4539 ± 0.0004 Å
• c: 23.7081 ± 0.0014 Å
• α: 90°
• β: 126.11 ± 0.003°
• γ: 90°
• Cell volume: 3656.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1219
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No