Information card for entry 4117552

Structure parameters

• Formula: C14 H17 N4 O2
• Calculated formula: C14 H17 N4 O2
• SMILES: O=[N]1C(=N(=O)C(C1(C)C)(C)C)c1nc2ccccc2[nH]1
• Title of publication: Magnetic Tuning of All-Organic Binary Alloys between Two Stable Radicals
• Authors of publication: Gonca Seber; Rafael S. Freitas; Joel T. Mague; Armando Paduan-Filho; Xavier Gratens; Valdir Bindilatti; Nei Fernandes Oliveira; Naoki Yoshioka; Paul M. Lahti
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3825 - 3833
• a: 8.6236 ± 0.0006 Å
• b: 15.2101 ± 0.001 Å
• c: 20.2137 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2651.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0476
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No