Information card for entry 4132703

Structure parameters

• Formula: C15 H9 Cl F2 O
• Calculated formula: C15 H9 Cl F2 O
• SMILES: C1(=O)c2ccccc2C(C1)c1c(ccc(c1F)Cl)F
• Title of publication: Conjugate Addition of Perfluoroarenes to α,β-Unsaturated Carbonyls Enabled by an Alkoxide-Hydrosilane System: Implication of a Radical Pathway.
• Authors of publication: Xie, Weilong; Park, Sung-Woo; Jung, Hoimin; Kim, Dongwook; Baik, Mu-Hyun; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 30
• Pages of publication: 9659 - 9668
• a: 10.7627 ± 0.0006 Å
• b: 12.6174 ± 0.0007 Å
• c: 9.1065 ± 0.0004 Å
• α: 90°
• β: 101.936 ± 0.002°
• γ: 90°
• Cell volume: 1209.9 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0466
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No