Information card for entry 1513306

Structure parameters

• Formula: C19 H26 O7
• Calculated formula: C19 H26 O7
• SMILES: O([C@H]1[C@H]2[C@]([C@H](O)C1)([C@H](OC(=O)C)[C@@H]1[C@H](OC(=O)C1=C)C[C@@H]2C)C)C(=O)C
• Title of publication: Sesquiterpenoids fromInula lineariifoliaInhibit Nitric Oxide Production
• Authors of publication: Nie, Li-Yue; Qin, Jiang-Jiang; Huang, Ying; Yan, Lan; Liu, Yu-Bo; Pan, Yue-Xing; Jin, Hui-Zi; Zhang, Wei-Dong
• Journal of publication: Journal of Natural Products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 1117 - 1120
• a: 9.3534 ± 0.0007 Å
• b: 9.3534 ± 0.0007 Å
• c: 42.209 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3692.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No