Information card for entry 1558659

Structure parameters

• Formula: C23 H20 O
• Calculated formula: C23 H20 O
• SMILES: O=C([C@@](C=C)(Cc1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Catalytic enantioselective allene-anhydride approach to β,γ-unsaturated enones bearing an α-all-carbon-quaternary center
• Authors of publication: Yuan, Yuan; Zhang, Xue; Qian, Hui; Ma, Shengming
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 11.8749 ± 0.0004 Å
• b: 6.1545 ± 0.0002 Å
• c: 12.1392 ± 0.0004 Å
• α: 90°
• β: 105.369 ± 0.001°
• γ: 90°
• Cell volume: 855.46 ± 0.05 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No