Information card for entry 4088153

Structure parameters

• Formula: C63 H50 B F15 N O P Si
• Calculated formula: C63 H50 B F15 N O P Si
• SMILES: [P@@]1(=[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[C@H](C)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F.c1ccccc1.[P@]1(=[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[C@@H](C)c1ccccc1)(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: 11.7505 ± 0.0004 Å
• b: 12.4955 ± 0.0005 Å
• c: 21.01 ± 0.0012 Å
• α: 102.451 ± 0.003°
• β: 92.353 ± 0.003°
• γ: 110.29 ± 0.002°
• Cell volume: 2802.7 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No