Information card for entry 7056139

Structure parameters

• Common name: Ethylbiquinoxen
• Chemical name: N,N'-diethyl-3,3'-biquinoxalinium bis(tetrafluoroborate)
• Formula: C20 H20 B2 F8 N4
• Calculated formula: C20 H20 B2 F8 N4
• SMILES: [B](F)(F)(F)[F-].C([n+]1cc(c2c[n+](CC)c3c(cccc3)n2)nc2ccccc12)C.[B](F)(F)(F)[F-]
• Title of publication: An alternative method to access diverse N,N′-diquaternised-3,3′-biquinoxalinium “biquinoxen” dications
• Authors of publication: Leblanc, Nicolas; Sproules, Stephen; Powell, Annie K.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2949
• a: 9.371 ± 0.004 Å
• b: 14.361 ± 0.007 Å
• c: 15.685 ± 0.006 Å
• α: 90°
• β: 101.28 ± 0.03°
• γ: 90°
• Cell volume: 2070.1 ± 1.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No