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Information card for entry 7116430
Preview
Coordinates | 7116430.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H74 N10 O26 S4 |
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Calculated formula | C58 H46 N10 O26 S4 |
SMILES | C1n2c[n+](cc2)c2cccc(n2)n2c[n+](cc2)Cc2ccc(cc2)Cn2c[n+](cc2)c2cccc(n2)n2c[n+](cc2)Cc2ccc1cc2.O=S(=O)([O-])c1cccc2c1cccc2S(=O)(=O)[O-].O=S(=O)([O-])c1c2cccc(S(=O)(=O)[O-])c2ccc1.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Aromatic sulfonate anion-induced pseudorotaxanes: environmentally benign synthesis, selectivity, and structural characterization |
Authors of publication | Han-Yuan Gong; Feng Tang; Brett M. Rambo; Rui Cao; Jun-Feng Xiang; Jonathan L. Sessler |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 1795 |
a | 10.5682 ± 0.001 Å |
b | 12.4098 ± 0.001 Å |
c | 13.8043 ± 0.0016 Å |
α | 70.117 ± 0.002° |
β | 82.636 ± 0.003° |
γ | 85.85 ± 0.002° |
Cell volume | 1687.7 ± 0.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 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 | 0.0909 |
Residual factor for significantly intense reflections | 0.0701 |
Weighted residual factors for significantly intense reflections | 0.1592 |
Weighted residual factors for all reflections included in the refinement | 0.1793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/7116430.html
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Users of the data should acknowledge the original authors of the
structural data.