Information card for entry 1504990

Structure parameters

• Formula: C16 H22 O2
• Calculated formula: C16 H22 O2
• 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: 17.2971 ± 0.0014 Å
• b: 10.1245 ± 0.0008 Å
• c: 17.4254 ± 0.0014 Å
• α: 90°
• β: 92.827 ± 0.001°
• γ: 90°
• Cell volume: 3047.9 ± 0.4 ų
• Cell temperature: 217 ± 2 K
• Ambient diffraction temperature: 217 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No