Information card for entry 4106739

Structure parameters

• Formula: C18 H26 N2 O8
• Calculated formula: C18 H26 N2 O8
• SMILES: C1(=O)CCCC[C@]1(C(=O)OCC)N(=O)=N([C@]1(C(=O)CCCC1)C(=O)OCC)=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: 18.558 ± 0.003 Å
• b: 6.8755 ± 0.0013 Å
• c: 15.82 ± 0.003 Å
• α: 90°
• β: 110.613 ± 0.004°
• γ: 90°
• Cell volume: 1889.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No