Information card for entry 1557856

Structure parameters

• Formula: C16 H24 O6
• Calculated formula: C16 H24 O6
• SMILES: O1[C@]23C4=C([C@@H](O)C[C@H]([C@@]2(O)CC([C@H]13)(C)C)C)C(=O)OC4.CO
• Title of publication: Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.
• Authors of publication: Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai
• Journal of publication: Journal of natural products
• Year of publication: 2020
• a: 7.2833 ± 0.0004 Å
• b: 11.5034 ± 0.0006 Å
• c: 9.4902 ± 0.0005 Å
• α: 90°
• β: 101.578 ± 0.001°
• γ: 90°
• Cell volume: 778.94 ± 0.07 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 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: 0.0245
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No