Information card for entry 1504992

Structure parameters

• Formula: C16 H26 O2
• Calculated formula: C16 H26 O2
• SMILES: O=C1CC(CC[C@H]1[C@H]1C(=O)CC(CC1)(C)C)(C)C.O=C1CC(CC[C@@H]1[C@@H]1C(=O)CC(CC1)(C)C)(C)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: 6.4256 ± 0.0007 Å
• b: 9.869 ± 0.001 Å
• c: 11.9398 ± 0.0012 Å
• α: 101.571 ± 0.002°
• β: 97.45 ± 0.002°
• γ: 91.005 ± 0.002°
• Cell volume: 734.76 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No