Information card for entry 1559396

Structure parameters

• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• SMILES: O=C(O)[C@@]1([C@H]2[C@H]3[C@]4([C@@](C(=O)[C@H]5O[C@H]5[C@@H]4C)(C)CC3)C[C@]2(CC1)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: 8.4465 ± 0.0002 Å
• b: 13.0493 ± 0.0004 Å
• c: 15.8066 ± 0.0005 Å
• α: 90°
• β: 91.564 ± 0.001°
• γ: 90°
• Cell volume: 1741.57 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No