Information card for entry 7226938

Structure parameters

• Formula: C32 H40 O8
• Calculated formula: C32 H40 O8
• SMILES: O[C@H]([C@@H]1C(=C[C@H]2[C@@H](OC(=O)[C@@]32[C@@]24[C@@H](O)[C@H](C(=C2C[C@H]2[C@@H](OC(=O)C2=C)C[C@@H]4C)C)C3)C[C@H]1C)C)CCOC(=O)C
• Title of publication: Lineariifolianoids I-L, four rare sesquiterpene lactone dimers inhibiting NO production from Inula lineariifolia
• Authors of publication: Chen, Li-Ping; Wu, Guo-Zhen; Dong, Hong-yuan; Yang, Niao; Zhang, Weidong; Li, Hui-Liang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.7671 ± 0.0001 Å
• b: 17.4066 ± 0.0003 Å
• c: 18.8236 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2872.58 ± 0.09 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0437
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No