Information card for entry 1552665

Structure parameters

• Formula: C20 H26 O6
• Calculated formula: C20 H26 O6
• SMILES: [C@H]12[C@@H]3[C@@](C(=C)C[C@@H]([C@H]2C(=C)C(=O)O1)OC(=O)CC(C)C)(O)C[C@H]1O[C@@]31C
• Title of publication: Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity.
• Authors of publication: Reinhardt, Jakob K.; Klemd, Amy M.; Danton, Ombeline; De Mieri, Maria; Smieško, Martin; Huber, Roman; Bürgi, Thomas; Gründemann, Carsten; Hamburger, Matthias
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 6
• Pages of publication: 1424 - 1433
• a: 9.1487 ± 0.0007 Å
• b: 10.3308 ± 0.0007 Å
• c: 20.0261 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1892.7 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0477
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0832
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No