Information card for entry 7114308

Structure parameters

• Common name: 5-(4-[N-tert-Butyl-N-aminoxyl]phenyl)pyrimidine
• Formula: C14 H16 N3 O
• Calculated formula: C14 H16 N3 O
• SMILES: O=[N](c1ccc(c2cncnc2)cc1)C(C)(C)C
• Title of publication: 1∶1 Complexes of 5-(4-[N-tert-butyl-N-aminoxyl]phenyl)pyrimidine with manganese(ii) and copper(ii) hexafluoroacetonylacetonateElectronic supplementary information (ESI) available: Spectroscopic data and crystallography for 1. Fig. S1: ESR spectrum of 1. See http://www.rsc.org/suppdata/cc/b1/b111295n/
• Authors of publication: Field, Lora M.; Lahti, Paul M.; Palacio, Fernando
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 636
• a: 8.6102 ± 0.0002 Å
• b: 12.2878 ± 0.0003 Å
• c: 12.5928 ± 0.0003 Å
• α: 82.9002 ± 0.0012°
• β: 82.7916 ± 0.0011°
• γ: 79.6236 ± 0.0012°
• Cell volume: 1293.19 ± 0.05 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: 0.0604
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No