Information card for entry 4030575

Structure parameters

• Formula: C22 H18 F5 N O Si
• Calculated formula: C22 H18 F5 N O Si
• SMILES: [Si](c1c2n(c3c(c2cc(O)c1c1c(F)c(F)c(F)c(F)c1F)cccc3)C)(C)(C)C
• Title of publication: Benzannulation of heterocyclic frameworks by 1,1-carboboration pathways.
• Authors of publication: Liedtke, René; Tenberge, Fabian; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 4
• Pages of publication: 2240 - 2248
• a: 13.0052 ± 0.0002 Å
• b: 7.3635 ± 0.0001 Å
• c: 20.9912 ± 0.0004 Å
• α: 90°
• β: 101.869 ± 0.001°
• γ: 90°
• Cell volume: 1967.22 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No