Information card for entry 7238577

Structure parameters

• Formula: C34 H44 O10
• Calculated formula: C34 H44 O10
• SMILES: O=C1O[C@H]2[C@H]([C@@H](OC(=O)C)C=C(CCC(=O)C)[C@H](C2)C)[C@@]21C[C@@]13[C@@H](OC(=O)C)[C@@H]2C(=C1C[C@H]1[C@@H](OC(=O)C1=C)C[C@@H]3C)C.O
• Title of publication: Lineariifolianoids A–D, rare unsymmetrical sesquiterpenoid dimers comprised of xanthane and guaiane framework units from Inula lineariifolia
• Authors of publication: Qin, Jiang-Jiang; Huang, Ying; Wang, Dan; Cheng, Xiang-Rong; Zeng, Qi; Zhang, Shou-De; Hu, Zhen-Lin; Jin, Hui-Zi; Zhang, Wei-Dong
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 1307
• a: 10.9631 ± 0.0003 Å
• b: 21.0687 ± 0.0005 Å
• c: 14.2884 ± 0.0004 Å
• α: 90°
• β: 94.404 ± 0.001°
• γ: 90°
• Cell volume: 3290.57 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No