Information card for entry 1517268

Structure parameters

• Formula: C30 H40 O7
• Calculated formula: C30 H40 O7
• SMILES: O[C@@H]1[C@]2([C@H](C(=C)[C@H](O)C1)C[C@H]1[C@H](OC(=O)[C@]31C[C@H]1C4=C([C@@]3(C1)C)C[C@H]1[C@@H](OC(=O)C1=C)C[C@H]4C)C2)C.O
• 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: 11.9866 ± 0.0001 Å
• b: 7.7683 ± 0.0001 Å
• c: 14.6557 ± 0.0002 Å
• α: 90°
• β: 110.8°
• γ: 90°
• Cell volume: 1275.73 ± 0.03 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No