Information card for entry 4027744

Structure parameters

• Common name: Pr4NTCNQF4
• Chemical name: Pr4NTCNQF4
• Formula: C24 H28 F4 N5
• Calculated formula: C24 H28 F4 N5
• SMILES: FC1=C(F)C(C(F)=C(F)C1=C(C#N)C#N)=C(C#N)C#N.[N+](CCC)(CCC)(CCC)CCC
• 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: 14.946 ± 0.003 Å
• b: 7.168 ± 0.0014 Å
• c: 22.136 ± 0.004 Å
• α: 90°
• β: 103.01 ± 0.03°
• γ: 90°
• Cell volume: 2310.6 ± 0.8 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: 0.0482
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.77343 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No