Information card for entry 1501806

Structure parameters

• Formula: C17 H18 O5
• Calculated formula: C17 H18 O5
• SMILES: o1c2c([C@@H]3OC(=O)C(=C3)C[C@@H](OC(=O)C)C=C(C2)C)c(c1)C
• Title of publication: Secondary metabolites from the roots of Neolitsea daibuensis and their anti-inflammatory activity.
• Authors of publication: Wong, Su-Ling; Chang, Hsun-Shuo; Wang, Guei-Jane; Chiang, Michael Y.; Huang, Hung-Yi; Chen, Chu-Huang; Tsai, Shiow-Chwen; Lin, Chu-Hung; Chen, Ih-Sheng
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 12
• Pages of publication: 2489 - 2496
• a: 7.3433 ± 0.0003 Å
• b: 11.4642 ± 0.0004 Å
• c: 9.1189 ± 0.0003 Å
• α: 90°
• β: 107.807 ± 0.002°
• γ: 90°
• Cell volume: 730.9 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.026
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No