Information card for entry 4030577

Structure parameters

• Formula: C33 H21 B F15 N Si2
• Calculated formula: C33 H21 B F15 N Si2
• SMILES: [B]([n]1cccc(c1C#C[Si](C)(C)C)C#C[Si](C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 23.8836 ± 0.0007 Å
• b: 10.9631 ± 0.0003 Å
• c: 29.7545 ± 0.0006 Å
• α: 90°
• β: 108.263 ± 0.002°
• γ: 90°
• Cell volume: 7398.4 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No