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Information card for entry 7209654
Preview
Coordinates | 7209654.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H20 F8 N4 O8 |
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Calculated formula | C40 H20 F8 N4 O8 |
SMILES | c12ccc[nH+]c2c2c(cccn2)cc1.Fc1c(C(=O)O)c(F)c(F)c(C(=O)O)c1F.Fc1c(C(=O)[O-])c(F)c(F)c(C(=O)[O-])c1F.c1ccc2c(c3c(cc2)ccc[nH+]3)n1 |
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 | 7.9033 ± 0.0016 Å |
b | 7.9444 ± 0.0016 Å |
c | 13.749 ± 0.003 Å |
α | 99.65 ± 0.03° |
β | 96.63 ± 0.03° |
γ | 91.26 ± 0.03° |
Cell volume | 844.6 ± 0.3 Å3 |
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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.2249 |
Weighted residual factors for all reflections included in the refinement | 0.2335 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7209654.html
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Users of the data should acknowledge the original authors of the
structural data.