Information card for entry 1542287

Structure parameters

• Formula: C19 H22 O5
• Calculated formula: C19 H22 O5
• SMILES: O1[C@@H]2/C=C(/CC/C=C(\C[C@H](OC(=O)C(=C)C)[C@H]2C(=C)C1=O)C=O)C
• Title of publication: Texas Native Plants Yield Compounds with Cytotoxic Activities against Prostate Cancer Cells.
• Authors of publication: Shaffer, Corena V.; Cai, Shengxin; Peng, Jiangnan; Robles, Andrew J.; Hartley, Rachel M.; Powell, Douglas R.; Du, Lin; Cichewicz, Robert H.; Mooberry, Susan L.
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 3
• Pages of publication: 531 - 540
• a: 9.873 ± 0.002 Å
• b: 7.792 ± 0.0016 Å
• c: 11.34 ± 0.002 Å
• α: 90°
• β: 91.557 ± 0.006°
• γ: 90°
• Cell volume: 872.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1323
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.2602
• Weighted residual factors for all reflections included in the refinement: 0.2975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No