Information card for entry 2006788

Structure parameters

• Formula: C15 H19 F3 N O3 P
• Calculated formula: C15 H19 F6 N O3 P
• Title of publication: A π-Stacked Complex Between 4,4'-Dimethyl-4,4'-bipyridinium Bis(hexafluorophosphate) and 1,5-Bis[(hydroxyethoxy)ethoxy]naphthalene
• Authors of publication: Benniston, Andrew C.; Yufit, Dmitrii S.; Mackie, Philip R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1899 - 1901
• a: 15.005 ± 0.005 Å
• b: 6.829 ± 0.005 Å
• c: 17.749 ± 0.005 Å
• α: 90 ± 0.005°
• β: 102.25 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1777.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.19
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections: 0.2796
• Weighted residual factors for significantly intense reflections: 0.2026
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.178
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No