Information card for entry 4027743

Structure parameters

• Common name: TPA2TCNQF4
• Chemical name: TPA2TCNQF4
• Formula: C18 H28 F2 N3
• Calculated formula: C18 H28 F2 N3
• Title of publication: Synthetic Precursors for TCNQF42- Compounds: Synthesis, Characterization, and Electrochemical Studies of (Pr4N)2TCNQF4 and Li2TCNQF4
• Authors of publication: Jinzhen Lu; Thanh Hai Le; Daouda A. K. Traore; Matthew C. J. Wilce; Alan M. Bond; Lisandra L. Martin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 10568 - 10574
• a: 10.591 ± 0.002 Å
• b: 11.791 ± 0.002 Å
• c: 14.954 ± 0.003 Å
• α: 90°
• β: 103.94 ± 0.03°
• γ: 90°
• Cell volume: 1812.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.77343 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No