Information card for entry 4088151

Structure parameters

• Formula: C49 H35 B F15 N O P Si
• Calculated formula: C49 H35 B F15 N O P Si
• SMILES: P1(=N(=O)[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)(c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F
• 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: 29.7467 ± 0.0007 Å
• b: 16.9992 ± 0.0006 Å
• c: 24.349 ± 0.0007 Å
• α: 90°
• β: 121.784 ± 0.002°
• γ: 90°
• Cell volume: 10466.2 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No