Information card for entry 4088152

Structure parameters

• Formula: C55 H42 B F15 N O P Si
• Calculated formula: C55 H42 B F15 N O P Si
• SMILES: P1(=[N]([B]2(C(=C1c1c(cc(cc1C)C)C)c1c(C(=C2c2c(F)c(F)c(F)c(F)c2F)[Si](C)(C)C)cccc1)c1c(F)c(F)c(F)c(F)c1F)O)(c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1
• Title of publication: FLPNO Nitroxide Radical Formation by a 1,1-Carboboration Route
• Authors of publication: Liedtke, René; Eller, Christina; Daniliuc, Constantin G.; Williams, Kamille; Warren, Timothy H.; Tesch, Matthias; Studer, Armido; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 55
• a: 30.7946 ± 0.0005 Å
• b: 17.3685 ± 0.0003 Å
• c: 19.8227 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10602.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No