Information card for entry 7209655

Structure parameters

• Formula: C20 H12 F4 N2 O5
• Calculated formula: C20 H12 F4 N2 O5
• SMILES: Fc1c(c(F)c(F)c(c1F)C(=O)[O-])C(=O)O.n1c2c3c(ccc[nH+]3)ccc2ccc1.O
• Title of publication: A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds
• Authors of publication: Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 2835
• a: 7.8627 ± 0.0016 Å
• b: 9.6759 ± 0.0019 Å
• c: 13.503 ± 0.003 Å
• α: 79.34 ± 0.03°
• β: 81.08 ± 0.03°
• γ: 66.64 ± 0.03°
• Cell volume: 923 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No