Information card for entry 4325230

Structure parameters

• Chemical name: 5-[3-(N-Tert-butyl-N-hydroxylamino)phenyl]pyrimidine
• Formula: C14 H17 N3 O
• Calculated formula: C14 H17 N3 O
• SMILES: ON(c1cc(c2cncnc2)ccc1)C(C)(C)C
• Title of publication: Loops, Chains, Sheets, and Networks from Variable Coordination of Cu(hfac)2 with a Flexibly Hinged Aminoxyl Radical Ligand
• Authors of publication: Martha Baskett; Armando Paduan-Filho; Nei Fernandes Oliveira; A. Chandrasekaran; Joel T. Mague; Paul M. Lahti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5060 - 5074
• a: 6.5952 ± 0.0002 Å
• b: 9.3397 ± 0.0003 Å
• c: 11.2448 ± 0.0004 Å
• α: 84.8122 ± 0.0014°
• β: 83.1625 ± 0.0014°
• γ: 73.647 ± 0.003°
• Cell volume: 658.72 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No