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Information card for entry 4000075
Preview
| Coordinates | 4000075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(guanidinium)(4,4'-biphenyldisulfonate).(2,6-dimethylnaphthalene) |
|---|---|
| Formula | C26 H32 N6 O6 S2 |
| Calculated formula | C26 H32 N6 O6 S2 |
| SMILES | [O-]S(=O)(=O)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)[O-].Cc1ccc2c(c1)ccc(c2)C.NC(=[NH2+])N.NC(=[NH2+])N |
| Title of publication | Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks |
| Authors of publication | Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2001 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3018 |
| a | 31.569 ± 0.002 Å |
| b | 7.356 ± 0.0005 Å |
| c | 12.7025 ± 0.0009 Å |
| α | 90° |
| β | 109.611 ± 0.003° |
| γ | 90° |
| Cell volume | 2778.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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