Information card for entry 1504996

Structure parameters

• Formula: C20 H22 O2
• Calculated formula: C20 H22 O2
• SMILES: O=C1[C@H]([C@H](C(=C)C)CC=C1C)[C@H]1CCc2c(C1=O)cccc2
• 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: 10.4888 ± 0.0017 Å
• b: 12.241 ± 0.002 Å
• c: 12.347 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1585.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No