Information card for entry 1507809

Structure parameters

• Formula: C28 H24 O8
• Calculated formula: C28 H24 O8
• SMILES: O=C(OC[C@]1(O)[C@@H]2[C@H](C=CC1=O)[C@H]1C(=O)[C@](O)(COC(=O)c3ccccc3)[C@@H]2C=C1)c1ccccc1
• Title of publication: Antiausterity Agents from Uvaria dac and Their Preferential Cytotoxic Activity against Human Pancreatic Cancer Cell Lines in a Nutrient-Deprived Condition.
• Authors of publication: Awale, Suresh; Ueda, Jun-Ya; Athikomkulchai, Sirivan; Abdelhamed, Sherif; Yokoyama, Satoru; Saiki, Ikuo; Miyatake, Ryuta
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 6
• Pages of publication: 1177 - 1183
• a: 10.6034 ± 0.0005 Å
• b: 6.2661 ± 0.0003 Å
• c: 18.0594 ± 0.0008 Å
• α: 90°
• β: 107.232 ± 0.003°
• γ: 90°
• Cell volume: 1146.04 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No