Information card for entry 7227244

Structure parameters

• Formula: C30 H12 F4 N4
• Calculated formula: C30 H12 F4 N4
• SMILES: C1(=C(F)C(C(=C(C1=C(C#N)C#N)F)F)=C(C#N)C#N)F.c12c(cccc1)cc1c(c2)cc2c(c1)cccc2
• 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: 8.6573 ± 0.0011 Å
• b: 7.1501 ± 0.001 Å
• c: 18.754 ± 0.003 Å
• α: 90°
• β: 96.93 ± 0.009°
• γ: 90°
• Cell volume: 1152.4 ± 0.3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0433
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No