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Information card for entry 7209650
Preview
Coordinates | 7209650.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H24 F8 N4 O8 |
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Calculated formula | C30 H24 F8 N4 O8 |
SMILES | c1(F)c(c(c(c(c1F)C(=O)[O-])F)F)C(=O)[O-].c1(c(C(=O)O)c(F)c(c(C(=O)O)c1F)F)F.CN(C)c1cc[nH+]cc1.CN(C)c1cc[nH+]cc1 |
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 | 8.781 ± 0.005 Å |
b | 10.066 ± 0.007 Å |
c | 10.289 ± 0.006 Å |
α | 99.273 ± 0.01° |
β | 107.452 ± 0.009° |
γ | 110.288 ± 0.009° |
Cell volume | 777.2 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0968 |
Residual factor for significantly intense reflections | 0.0467 |
Weighted residual factors for significantly intense reflections | 0.111 |
Weighted residual factors for all reflections included in the refinement | 0.1581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
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/7209650.html
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Users of the data should acknowledge the original authors of the
structural data.