Information card for entry 1557855

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O=C(O)C1=C[C@@H]2C[C@](C(=O)O)(C)C[C@@]32[C@H]1CC[C@H]3C
• 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: 6.6612 ± 0.0004 Å
• b: 11.0697 ± 0.0006 Å
• c: 9.6314 ± 0.0005 Å
• α: 90°
• β: 103.76 ± 0.001°
• γ: 90°
• Cell volume: 689.81 ± 0.07 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: 0.0303
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No