Information card for entry 7118341

Structure parameters

• Formula: C16 H22 O
• Calculated formula: C16 H22 O
• SMILES: O=C1CCC[C@H]([C@@H]1c1ccccc1)CCCC.O=C1CCC[C@@H]([C@H]1c1ccccc1)CCCC
• Title of publication: A Cu-mediated one-pot Michael addition/α-arylation strategy using a diaryliodonium salt: a direct and efficient approach to α-aryl-β-substituted cyclic ketone scaffolds.
• Authors of publication: Pan, Jin-Long; Chen, Tao; Zhang, Zhi-Qiang; Li, Yi-Fan; Zhang, Xiao-Ming; Zhang, Fu-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2382 - 2385
• a: 5.6982 ± 0.0003 Å
• b: 18.9135 ± 0.001 Å
• c: 13.0889 ± 0.0007 Å
• α: 90°
• β: 95.097 ± 0.005°
• γ: 90°
• Cell volume: 1405.05 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No