Information card for entry 1504988

Structure parameters

• Formula: C14 H18 O2
• Calculated formula: C14 H18 O2
• SMILES: O=C1[C@H](CCC(=C1)C)[C@@H]1C(=O)C=C(CC1)C.O=C1[C@@H](CCC(=C1)C)[C@H]1C(=O)C=C(CC1)C
• Title of publication: Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.
• Authors of publication: Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 5621 - 5624
• a: 14.1767 ± 0.0003 Å
• b: 29.5845 ± 0.0007 Å
• c: 5.5128 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.13 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No