Information card for entry 1504989

Structure parameters

• Formula: C20 H18 O2
• Calculated formula: C20 H18 O2
• SMILES: O=C1c2ccccc2CC[C@@H]1[C@@H]1C(=O)c2ccccc2CC1.O=C1c2ccccc2CC[C@H]1[C@H]1C(=O)c2ccccc2CC1
• 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: 13.755 ± 0.012 Å
• b: 6.832 ± 0.003 Å
• c: 16.505 ± 0.009 Å
• α: 90°
• β: 104.58 ± 0.04°
• γ: 90°
• Cell volume: 1501.1 ± 1.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No