Information card for entry 4118097

Structure parameters

• Formula: C44 H41 B F10 N O P
• Calculated formula: C44 H41 B F10 N O P
• SMILES: [P+]1(N([B]([C@@H]2[C@@H]1CCCC2)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)O[C@H](c1ccccc1)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[P+]1(N([B]([C@H]2[C@H]1CCCC2)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)O[C@@H](c1ccccc1)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: N,N-Addition of Frustrated Lewis Pairs to Nitric Oxide: An Easy Entry to a Unique Family of Aminoxyl Radicals
• Authors of publication: Muhammad Sajid; Annika Stute; Allan Jay P. Cardenas; Brooks J. Culotta; Johannes A. M. Hepperle; Timothy H. Warren; Birgitta Schirmer; Stefan Grimme; Armido Studer; Constantin G. Daniliuc; Roland Fröhlich; Jeffrey L. Petersen; Gerald Kehr; Gerhard Erker
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10156 - 10168
• a: 19.6305 ± 0.0005 Å
• b: 11.3087 ± 0.0004 Å
• c: 18.274 ± 0.0005 Å
• α: 90°
• β: 105.963 ± 0.002°
• γ: 90°
• Cell volume: 3900.3 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No