Information card for entry 2008011

Structure parameters

• Chemical name: N,N'-dinitroso-N,N'-dimethoxy-2,3-dimethyl-2,3-butanediamine
• Formula: C8 H18 N4 O4
• Calculated formula: C8 H18 N4 O4
• SMILES: CON(C(C(N(N=O)OC)(C)C)(C)C)N=O
• Title of publication: The First X-ray Study of Alkoxynitrosoamines
• Authors of publication: Irina Yu. Bagryanskaya; Tatyana V. Rybalova; Yuri V. Gatilov; Vadim K. Khlestkin; Dmitrii G. Mazhukin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: IUC9800073
• a: 6.399 ± 0.001 Å
• b: 13.415 ± 0.002 Å
• c: 7.288 ± 0.001 Å
• α: 90°
• β: 110.1 ± 0.01°
• γ: 90°
• Cell volume: 587.52 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0431
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.1269
• Weighted residual factors for significantly intense reflections: 0.111
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No