Information card for entry 7104277

Structure parameters

• Common name: O2-Methyl 1-(4-Phenylpiperazin-1-yl)diazen-1-ium-1,2-diolate
• Formula: C11 H16 N4 O2
• Calculated formula: C11 H16 N4 O2
• SMILES: N1(c2ccccc2)CCN(N(=O)=NOC)CC1
• Title of publication: Nanometre-sized titanium dioxide-catalyzed reactions of nitric oxide with aliphatic cyclic and aromatic amines.
• Authors of publication: Huang, Zhangjian; Zhang, Yihua; Fang, Lei; Zhang, Zhiguo; Lai, Yisheng; Ding, Ye; Cao, Fengqi; Zhang, Ji; Peng, Sixun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 1763 - 1765
• a: 10.638 ± 0.002 Å
• b: 7.562 ± 0.0015 Å
• c: 30.221 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2431.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No