Information card for entry 1517265

Structure parameters

• Formula: C30 H38 O6
• Calculated formula: C30 H38 O6
• SMILES: O[C@H]1C[C@@H](O)C(=C)[C@@H]2C[C@H]3[C@H](OC(=O)[C@]43C[C@@H]3C[C@]54C(=C3C)C[C@H]3[C@@H](OC(=O)C3=C)C[C@@H]5C)C[C@@]12C
• Title of publication: Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.
• Authors of publication: Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 16
• Pages of publication: 4216 - 4219
• a: 14.3442 ± 0.0001 Å
• b: 14.3442 ± 0.0001 Å
• c: 26.2596 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5403.07 ± 0.08 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No