Information card for entry 4117322

Structure parameters

• Formula: C20 H25 F3 O3
• Calculated formula: C20 H25 F3 O3
• SMILES: FC(F)(F)COC(=O)/C=C1\O[C@@H]([C@H]2C=C[C@@H]3[C@H](CC[C@@H](C3)C)[C@@]12C)C=C
• Title of publication: Total Synthesis of (-)-Fusarisetin A and Reassignment of the Absolute Configuration of Its Natural Counterpart
• Authors of publication: Jun Deng; Bo Zhu; Zhaoyong Lu; Haixin Yu; Ang Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 920 - 923
• a: 12.992 ± 0.002 Å
• b: 8.1737 ± 0.0013 Å
• c: 18.325 ± 0.003 Å
• α: 90°
• β: 100.929 ± 0.003°
• γ: 90°
• Cell volume: 1910.7 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No