Information card for entry 7705461

Structure parameters

• Formula: C44 H47 B Cu N7
• Calculated formula: C44 H47 B Cu N7
• Title of publication: Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes.
• Authors of publication: Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14647 - 14655
• a: 16.4916 ± 0.0016 Å
• b: 12.6597 ± 0.0012 Å
• c: 19.3006 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4029.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No