Information card for entry 4104858

Structure parameters

• Formula: C17 H26 O4
• Calculated formula: C17 H26 O4
• SMILES: O=C1O[C@H]2[C@](C1)(C)[C@H](O)C[C@@]13O[C@@H]1C[C@@H](C(C)C)[C@]3(C)C2
• 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: 6.6601 ± 0.0014 Å
• b: 11.827 ± 0.003 Å
• c: 9.66 ± 0.002 Å
• α: 90°
• β: 97.035 ± 0.003°
• γ: 90°
• Cell volume: 755.2 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 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: 0.0432
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No