Information card for entry 1506489

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: C1(=C(C(=O)[C@]2(C(=C(C=C([C@H]2C)C)C)O1)C)C)OC
• Title of publication: Synthesis of an analogue of the marine polypropionate 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: 3
• Pages of publication: 407 - 409
• a: 7.338 ± 0.007 Å
• b: 15.567 ± 0.017 Å
• c: 23.86 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2726 ± 5 ų
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.2614
• Residual factor for significantly intense reflections: 0.1136
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.2849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No