Information card for entry 4000823

Structure parameters

• Formula: C15 H20 N3 O3
• Calculated formula: C15 H20 N3 O3
• SMILES: [N]1(=O)C(C(N(=O)=C1c1cc(NC(=O)C)ccc1)(C)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: 19.9092 ± 0.0005 Å
• b: 7.7405 ± 0.0001 Å
• c: 9.5638 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.85 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No