Information card for entry 1552700

Structure parameters

• Formula: C25 H38 O6
• Calculated formula: C25 H38 O6
• SMILES: [C@]12(CC/C(=C3\[C@H](/C=C(/CC[C@H]1C(=CC2=O)C(C)C)C)[C@@H]([C@H](C)O)C(=O)O3)C)CO.CO
• 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: 6.6586 ± 0.0002 Å
• b: 17.0782 ± 0.0003 Å
• c: 10.2338 ± 0.0002 Å
• α: 90°
• β: 95.942 ± 0.002°
• γ: 90°
• Cell volume: 1157.5 ± 0.05 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: 0.0419
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No