Information card for entry 1560287

Structure parameters

• Formula: C22 H28 O7
• Calculated formula: C22 H28 O7
• SMILES: C1(=O)c2c(/C=C/C[C@@H]3[C@H](C(=O)CCC[C@H](C)O1)OC(C)(C)O3)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: 5.59493 ± 0.00008 Å
• b: 16.1943 ± 0.0002 Å
• c: 11.21004 ± 0.00014 Å
• α: 90°
• β: 97.6959 ± 0.0012°
• γ: 90°
• Cell volume: 1006.55 ± 0.02 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: 0.0408
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No