Information card for entry 1559395

Structure parameters

• Formula: C20 H28 O3
• Calculated formula: C20 H28 O3
• SMILES: O=C1C=C[C@@H]([C@@]23[C@@H](CC[C@@]12C)[C@H]1[C@@](C3)(CC[C@]1(C)C(=O)O)C)C
• Title of publication: Bioassay-Directed Isolation of Antibacterial Metabolites from an Arthropod-Derived Penicillium chrysogenum
• Authors of publication: Zhang, Sitian; He, Yan; Li, Fengli; Lin, Shuang; Yang, Beiye; Mo, Shuyuan; Li, Huaqiang; Wang, Jianping; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui
• Journal of publication: Journal of Natural Products
• Year of publication: 2020
• a: 8.42344 ± 0.00005 Å
• b: 13.02017 ± 0.00008 Å
• c: 15.78803 ± 0.0001 Å
• α: 90°
• β: 92.1346 ± 0.0006°
• γ: 90°
• Cell volume: 1730.34 ± 0.018 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 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: 0.0269
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No