Information card for entry 4109869

Structure parameters

• Formula: C32 H50 O11
• Calculated formula: C32 H50 O11
• SMILES: O=C1OC[C@@H](C(=O)[C@@H]([C@@H](O)CC(=O)[C@H](/C=C(/[C@H](O)[C@H](C(=O)[C@H]([C@H](OC)[C@H]1O)C)C)C)C)C)[C@H](O)[C@]1(O[C@@H]1[C@H](/C=C\C)C)C
• Title of publication: Total Synthesis of (+)-Tedanolide
• Authors of publication: Amos B. Smith; Dongjoo Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10957 - 10962
• a: 6.6841 ± 0.0006 Å
• b: 16.1119 ± 0.0016 Å
• c: 29.872 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3217 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No