Information card for entry 4030574

Structure parameters

• Formula: C37 H25 B F15 N Si2
• Calculated formula: C37 H25 B F15 N Si2
• SMILES: [Si](c1c(c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c([Si](C)(C)C)c2c3c(n(c12)C)cccc3)c1c(F)c(F)c(F)c(F)c1F)(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: 19.0787 ± 0.0006 Å
• b: 12.0494 ± 0.0002 Å
• c: 34.269 ± 0.0012 Å
• α: 90°
• β: 111.9 ± 0.002°
• γ: 90°
• Cell volume: 7309.5 ± 0.4 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: 0.0764
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No