Information card for entry 7227243

Structure parameters

• Formula: C26 H10 F4 N4
• Calculated formula: C26 H10 F4 N4
• SMILES: C(#N)C(C#N)=C1C(=C(C(=C(C#N)C#N)C(=C1F)F)F)F.c1cc2cc3c(cccc3)cc2cc1
• Title of publication: Single-crystal growth, structures, charge transfer and transport properties of anthracene-F4TCNQ and tetracene-F4TCNQ charge-transfer compounds
• Authors of publication: Hu, Peng; Li, Henan; Li, Yongxin; Jiang, Hui; Kloc, Christian
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 4
• Pages of publication: 618
• a: 6.7854 ± 0.0003 Å
• b: 8.2932 ± 0.0003 Å
• c: 9.432 ± 0.0003 Å
• α: 97.567 ± 0.002°
• β: 107.241 ± 0.002°
• γ: 97.513 ± 0.002°
• Cell volume: 494.35 ± 0.03 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.1271
• Weighted residual factors for significantly intense reflections: 0.3802
• Weighted residual factors for all reflections included in the refinement: 0.3883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.624
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No