Information card for entry 1543449

Structure parameters

• Formula: C15 H18 O3
• Calculated formula: C15 H18 O3
• SMILES: O=C1C=C([C@H]2C1=C(CC[C@@H]1[C@@H]2OC(=O)[C@H]1C)C)C
• Title of publication: Dehydroleucodine, a Sesquiterpene Lactone from Gynoxys verrucosa, Demonstrates Cytotoxic Activity against Human Leukemia Cells.
• Authors of publication: Ordóñez, Paola E; Sharma, Krishan K.; Bystrom, Laura M.; Alas, Maria A.; Enriquez, Raul G.; Malagón, Omar; Jones, Darin E.; Guzman, Monica L.; Compadre, Cesar M.
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 4
• Pages of publication: 691 - 696
• a: 7.5528 ± 0.0002 Å
• b: 11.7831 ± 0.0003 Å
• c: 14.103 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1255.1 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.0286
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No