Information card for entry 4132702

Structure parameters

• Formula: C40 H49 Na O8 Si2
• Calculated formula: C40 H49 Na O8 Si2
• SMILES: c12c3c(cccc3)[SiH](c1cccc2)[Si]1(c2c(c3c1cccc3)cccc2)[Na]([O]1CCOCC1)([O]1CCOCC1)([O]1CCOCC1)[O]1CCOCC1
• 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: 25.195 ± 0.005 Å
• b: 9.488 ± 0.0019 Å
• c: 19.143 ± 0.004 Å
• α: 90°
• β: 123.74 ± 0.03°
• γ: 90°
• Cell volume: 3805.4 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No