Information card for entry 4104861

Structure parameters

• Formula: C20 H28 O5
• Calculated formula: C20 H28 O5
• SMILES: O1C(=O)C[C@@]2([C@@]3(O)C(=C)CO[C@@H]3[C@H]3C(=O)C[C@@H]([C@]3(C[C@H]12)C)C(C)C)C.O1C(=O)C[C@]2([C@]3(O)C(=C)CO[C@H]3[C@@H]3C(=O)C[C@H]([C@@]3(C[C@@H]12)C)C(C)C)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: 33.206 ± 0.003 Å
• b: 6.6255 ± 0.0006 Å
• c: 19.8029 ± 0.0019 Å
• α: 90°
• β: 124.831 ± 0.001°
• γ: 90°
• Cell volume: 3576.2 ± 0.6 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No