Information card for entry 7226937

Structure parameters

• Formula: C34 H44 O11
• Calculated formula: C34 H44 O11
• SMILES: O=C(CCC1=C[C@H](OC(=O)C)[C@H]2[C@H](OC(=O)[C@@]32[C@@H]2[C@H](OC(=O)C)[C@@]4(C(=C2C)[C@@H](O)[C@H]2[C@@H](OC(=O)C2=C)C[C@@H]4C)C3)C[C@@H]1C)C.O
• 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: 9.7178 ± 0.0001 Å
• b: 16.9875 ± 0.0002 Å
• c: 19.0128 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3138.65 ± 0.06 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: 0.0333
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No