Information card for entry 8000178

Structure parameters

• Formula: C9 H18 N O
• Calculated formula: C9 H18 N O
• SMILES: O=[N]1C(CCCC1(C)C)(C)C
• 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: 21.332 ± 0.005 Å
• b: 22.771 ± 0.005 Å
• c: 7.9362 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3855 ± 1.5 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 6.436
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No