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Information card for entry 7058124
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Coordinates | 7058124.cif |
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Original paper (by DOI) | HTML |
Chemical name | 3-[4-(2-naphthyl)pyridinium-1-yl]propane-1-sulfonate,water solvate |
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Formula | C18 H25 N O7 S |
Calculated formula | C18 H25 N O7 S |
Title of publication | Self-assembly of cucurbiturils and cyclodextrins to supramolecular millstones with naphthalene derivatives capable of translocations in the host cavities |
Authors of publication | Vedernikov, Artem I.; Lobova, Natalia A.; Kuzmina, Lyudmila G.; Fomina, Marina V.; Strelenko, Yuri A.; Howard, Judith A. K.; Gromov, Sergey P. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2019 |
a | 8.1522 ± 0.0008 Å |
b | 9.6335 ± 0.001 Å |
c | 13.8091 ± 0.0014 Å |
α | 73.187 ± 0.002° |
β | 82.605 ± 0.002° |
γ | 66.352 ± 0.002° |
Cell volume | 950.85 ± 0.17 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.074 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1141 |
Weighted residual factors for all reflections included in the refinement | 0.1225 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7058124.html
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