Information card for entry 7153940

Structure parameters

• Common name: 3-CH3C(O)NH-TtBuCorrCu
• Formula: C51 H50 Cu N5 O
• Calculated formula: C51 H50 Cu N5 O
• Title of publication: 3-NO2-5,10,15-triarylcorrolato-Cu as a versatile platform for synthesis of novel 3-functionalized corrole derivatives.
• Authors of publication: Stefanelli, M.; Mancini, M.; Raggio, M.; Nardis, S.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 6200 - 6207
• a: 8.7172 ± 0.0013 Å
• b: 9.5695 ± 0.0016 Å
• c: 26.86 ± 0.005 Å
• α: 88.821 ± 0.007°
• β: 89.825 ± 0.009°
• γ: 71.559 ± 0.006°
• Cell volume: 2125.1 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No