Information card for entry 1517390

Structure parameters

• Formula: C22 H18 B2 F8 N2
• Calculated formula: C22 H18 B2 F8 N2
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[n+]1(cc2ccc3c[n+](C)c4ccccc4c3c2c2ccccc12)C
• Title of publication: Photophysical and Electrochemical Characterization of a Helical Viologen, N,N'-Dimethyl-5,10-diaza[5]helicene.
• Authors of publication: Zhang, Xiaoping; Clennan, Edward L.; Arulsamy, Navamoney
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 4610
• a: 22.1736 ± 0.0005 Å
• b: 8.6842 ± 0.0002 Å
• c: 10.5294 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2027.54 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0521
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No