Information card for entry 8000177

Structure parameters

• Formula: C9 H17 B F4 N O
• Calculated formula: C12.51 H18 B1.08 F5.49 N1.19 O1.12
• Title of publication: Structural Implication of Oxoammonium Cations for Reversible Organic One-electron Redox Reaction to Nitroxide Radicals
• Authors of publication: Yonekuta, Yasunori; Oyaizu, Kenichi; Nishide, Hiroyuki
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 7
• Pages of publication: 866
• a: 8.15 ± 0.004 Å
• b: 9.612 ± 0.005 Å
• c: 16.02 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1255 ± 1.1 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 2.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No