Information card for entry 4117543

Structure parameters

• Formula: C14 H13 F4 N4 O2
• Calculated formula: C14 H13 F4 N4 O2
• SMILES: Fc1c(F)c(F)c(F)c2[nH]c(nc12)C1=N(=O)C(C)(C)C([N]1=O)(C)C
• 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: 8.5019 ± 0.0011 Å
• b: 20.951 ± 0.003 Å
• c: 8.7237 ± 0.0012 Å
• α: 90°
• β: 110.586 ± 0.002°
• γ: 90°
• Cell volume: 1454.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No