Information card for entry 1552698

Structure parameters

• Formula: C20 H30 O4.06
• Calculated formula: C20 H30 O4.06155
• SMILES: [C@]12(C[C@H]3[C@@](C[C@H](/C=C(/CC[C@H]1C(=CC(=O)O2)C(C)C)C)O)(C)O3)C
• 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: 14.5633 ± 0.0001 Å
• b: 8.3743 ± 0.0001 Å
• c: 15.3907 ± 0.0002 Å
• α: 90°
• β: 95.7705 ± 0.0005°
• γ: 90°
• Cell volume: 1867.5 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0299
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No