Information card for entry 7220790

Structure parameters

• Formula: C30 H38 O6
• Calculated formula: C30 H38 O6
• SMILES: O1[C@@H]2CC[C@]3(O[C@@H]3C[C@H]3[C@@H](OC(=O)[C@@]43[C@@]3(C[C@@H](C5=C3C[C@H]3[C@@H](OC(=O)C3=C)C[C@@H]5C)C4)C)C[C@@]12C)C
• Title of publication: Cytotoxic 2, 4-Linked Sesquiterpene Lactone Dimers from Carpesium faberi Exhibiting NF-κB Inhibitory Activity
• Authors of publication: Yang, Yong-xun; Gao, Shuang; Zhang, Shoude; Zu, Xian-peng; Shen, Yunheng; Shan, Lei; Li, Hui-Liang; Zhang, Weidong
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.6885 ± 0.0002 Å
• b: 19.3149 ± 0.0004 Å
• c: 40.8677 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6069 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.073
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No