Information card for entry 7126266

Structure parameters

• Formula: C22 H16 F6 N2 O2
• Calculated formula: C22 H16 F6 N2 O2
• Title of publication: Unprecedented reductive cyclisation of salophen ligands to tetrahydroquinoxalines during metal complex formation.
• Authors of publication: Lamb, Katie J.; Dowsett, Mark R.; North, Michael; Parker, Rachel R.; Whitwood, Adrian C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 35
• Pages of publication: 4844 - 4847
• a: 28.1272 ± 0.0004 Å
• b: 9.04947 ± 0.00013 Å
• c: 14.7304 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3749.42 ± 0.09 ų
• Cell temperature: 110.05 ± 0.1 K
• Ambient diffraction temperature: 110.05 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No