Information card for entry 1558916

Structure parameters

• Formula: C17 H22 O6
• Calculated formula: C17 H22 O6
• SMILES: O(C(=O)C)[C@H]1/C=C(/C[C@@H]2OC(=O)C(=C)[C@H]2C[C@H](OO)C(=C)C1)C
• Title of publication: Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha
• Authors of publication: Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 7.3771 ± 0.0002 Å
• b: 12.8589 ± 0.0003 Å
• c: 8.6273 ± 0.0002 Å
• α: 90°
• β: 91.272 ± 0.001°
• γ: 90°
• Cell volume: 818.2 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0256
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No