Information card for entry 4030573

Structure parameters

• Formula: C37 H25 B F15 N Si2
• Calculated formula: C37 H25 B F15 N Si2
• SMILES: [Si](C#Cc1n(c2c(c1C(=C(\B(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)\[Si](C)(C)C)cccc2)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: 10.4022 ± 0.0006 Å
• b: 13.0301 ± 0.0008 Å
• c: 14.716 ± 0.0008 Å
• α: 109.281 ± 0.004°
• β: 95.936 ± 0.005°
• γ: 93.636 ± 0.005°
• Cell volume: 1862.52 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No