Information card for entry 4030578

Structure parameters

• Formula: C33 H21 B F15 N Si2
• Calculated formula: C33 H21 B F15 N Si2
• SMILES: [Si](c1c(c(B(C)c2c(F)c(F)c(F)c(F)c2F)c([Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)c2ncccc12)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: 14.2884 ± 0.0002 Å
• b: 10.0454 ± 0.0002 Å
• c: 23.209 ± 0.0005 Å
• α: 90°
• β: 94.795 ± 0.001°
• γ: 90°
• Cell volume: 3319.59 ± 0.11 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: 0.1116
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No