Information card for entry 1552695

Structure parameters

• Formula: C23 H36 O6
• Calculated formula: C23 H36 O6
• SMILES: [C@]12([C@H](C(=CC(=O)O1)C(C)C)C[C@H](O)C(=C[C@@H](C(=O)[C@@H](CC2)C)CC(=O)C)C)C.O
• Title of publication: Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.
• Authors of publication: Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 1923 - 1929
• a: 8.7681 ± 0.0001 Å
• b: 10.5647 ± 0.0002 Å
• c: 23.8071 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.31 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0287
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No