Information card for entry 4000824

Structure parameters

• Formula: C18 H26 N3 O4
• Calculated formula: C18 H26 N3 O4
• SMILES: N(c1cc(C2=N(=O)C(C([N]2=O)(C)C)(C)C)ccc1)C(=O)OC(C)(C)C
• Title of publication: Aminophenylnitronylnitroxides: Highly Networked Hydrogen-Bond Assembly in Organic Radical Materials
• Authors of publication: Aboaku, Safo; Paduan-Filho, Armando; Bindilatti, Valdir; Oliveira, Nei Fernandes; Schlueter, John A.; Lahti, Paul M.
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 21
• Pages of publication: 4844
• a: 13.922 ± 0.005 Å
• b: 11.778 ± 0.005 Å
• c: 24.558 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4027 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1065
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2337
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No