Information card for entry 1506541

Structure parameters

• Formula: C20 H32 O3
• Calculated formula: C20 H32 O3
• SMILES: C1(=O)C(=C[C@H]([C@H]([C@@]1(C)C(=O)[C@@H](C)CO)C(=C\CC(C)C)\C)C)C
• Title of publication: Synthesis of the putative structure of tridachiahydropyrone.
• Authors of publication: Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1581 - 1584
• a: 6.854 ± 0.003 Å
• b: 14.08 ± 0.004 Å
• c: 20.093 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1939.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.3284
• Residual factor for significantly intense reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No