Information card for entry 4103524

Structure parameters

• Formula: C11 H21 N3 O2
• Calculated formula: C11 H21 N3 O2
• SMILES: C1([N](=O)C(C(N=1)(C)C)(C)C)[N](=O)C(C)(C)C
• Title of publication: Nitroxide-Substituted Nitronyl Nitroxide and Iminonitroxide
• Authors of publication: Shuichi Suzuki; Takanori Furui; Masato Kuratsu; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Keiji Okada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15908 - 15910
• a: 6.118 ± 0.002 Å
• b: 17.652 ± 0.006 Å
• c: 12.494 ± 0.004 Å
• α: 90°
• β: 109.434 ± 0.006°
• γ: 90°
• Cell volume: 1272.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No