Information card for entry 1557857

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O=C1OCC2=C1C[C@H](O)[C@H]([C@@H]1[C@@H]2CC(C1)(C)C)C
• 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: 7.4807 ± 0.0002 Å
• b: 11.5246 ± 0.0003 Å
• c: 31.2716 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2695.99 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No