Information card for entry 4106738

Structure parameters

• Formula: C12 H21 N O2
• Calculated formula: C12 H21 N O2
• SMILES: C\1(=N/O)CCCCCCCCCCC1=O
• Title of publication: Metal Nitrite: A Powerful Oxidizing Reagent
• Authors of publication: Baidya, Mahiuddin; Yamamoto, Hisashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Journal issue: 35
• Pages of publication: 13880 - 13882
• a: 5.492 ± 0.004 Å
• b: 8.188 ± 0.006 Å
• c: 13.97 ± 0.01 Å
• α: 96.069 ± 0.012°
• β: 100.109 ± 0.011°
• γ: 104.7 ± 0.011°
• Cell volume: 590.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No