Information card for entry 4104860

Structure parameters

• Formula: C20 H28 O5
• Calculated formula: C20 H28 O5
• SMILES: O=C1O[C@@H]2[C@](C1)([C@@](O)(C=C1C(=O)C[C@@H]([C@]1(C2)C)C(C)C)C(=C)CO)C.O=C1O[C@H]2[C@@](C1)([C@](O)(C=C1C(=O)C[C@H]([C@@]1(C2)C)C(C)C)C(=C)CO)C
• Title of publication: Total Synthesis and Structural Revision of (\±)-Tricholomalides A and B
• Authors of publication: Zhang Wang; Sun-Joon Min; Samuel J. Danishefsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10848 - 10849
• a: 6.4098 ± 0.001 Å
• b: 13.194 ± 0.002 Å
• c: 21.041 ± 0.003 Å
• α: 90°
• β: 92.226 ± 0.003°
• γ: 90°
• Cell volume: 1778.1 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1485
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No