Information card for entry 1558918

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O1OC[C@H]2[C@@H]3[C@H](OC2=O)C/C(C)=C/CCC(=C)[C@@H]1C3
• 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: 8.4795 ± 0.0002 Å
• b: 10.1279 ± 0.0003 Å
• c: 15.4669 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1328.29 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0301
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No