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Information card for entry 4000074
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Coordinates | 4000074.cif |
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Original paper (by DOI) | HTML |
Common name | bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,3-dimethylnaphthalene) |
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Formula | C25 H28 N3 O3 S |
Calculated formula | C25 H28 N3 O3 S |
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 | 7.5509 ± 0.0007 Å |
b | 25.493 ± 0.002 Å |
c | 12.0573 ± 0.0012 Å |
α | 90° |
β | 91.574 ± 0.002° |
γ | 90° |
Cell volume | 2320.1 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0814 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.088 |
Weighted residual factors for all reflections included in the refinement | 0.095 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4000074.html
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