Information card for entry 7248392

Structure parameters

• Formula: C20 H22 O7
• Calculated formula: C20 H22 O7
• SMILES: O(C)C(=O)[C@@H]1[C@@H]2[C@]3([C@]4(OC2=O)C[C@@H]2C(=C)C(=O)O[C@H]2C[C@]2(O[C@@]42[C@@H]1C3)C)C
• Title of publication: Carpesabrolide A, a novel meroterpenoid with anti-inflammatory activity from Carpesium abrotanoides
• Authors of publication: Zhang, Xiao-Fang; Du, Jiao-Xian; Teng, Si-Qiong; Liu, Hui; He, Juan; Feng, Tao; Liu, Ji-Kai
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 11002 - 11006
• a: 9.8989 ± 0.0003 Å
• b: 11.368 ± 0.0003 Å
• c: 15.8912 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1788.25 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.031
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No