Information card for entry 1560284

Structure parameters

• Formula: C17 H26 O6
• Calculated formula: C17 H26 O6
• SMILES: C1(=O)c2c(CCCCC[C@@H](C[C@H](C)O)O1)cc(cc2O)O.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: 8.61617 ± 0.00017 Å
• b: 16.0717 ± 0.0003 Å
• c: 12.1358 ± 0.0003 Å
• α: 90°
• β: 90.6233 ± 0.0018°
• γ: 90°
• Cell volume: 1680.42 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No