Information card for entry 2013193

Structure parameters

• Chemical name: 8a-Azoniahexahelicene hexafluorophosphate
• Formula: C25 H16 F6 N P
• Calculated formula: C25 H16 F6 N P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[n+]12ccc3ccc4ccccc4c3c2c2c(cc1)ccc1ccccc21
• Title of publication: An azonia derivative of hexahelicene
• Authors of publication: Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o162 - o164
• a: 9.1026 ± 0.0007 Å
• b: 12.1235 ± 0.0009 Å
• c: 18.019 ± 0.001 Å
• α: 90°
• β: 101.219 ± 0.003°
• γ: 90°
• Cell volume: 1950.5 ± 0.2 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes