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Information card for entry 7005842
Preview
Coordinates | 7005842.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H76 Cl6 F12 Li4 N2 O26 S4 |
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Calculated formula | C68 H76 Cl6 F12 Li4 N2 O26 S4 |
SMILES | [Li]123[O]=C4N(C(=O)c5c6c4ccc4C(N(C(=[O][Li]78[O]9CCOc%10ccc%11cc(OCC[O]3CC[O]2CC[O]1CCOc1ccc2cc(ccc2c1)OCC[O]8CC[O]7CC9)ccc%11c%10)c(c64)cc5)CCCCCC)=O)CCCCCC.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[Li+].[Li+].S(=O)(=O)([O-])C(F)(F)F.C(Cl)(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.C(Cl)(Cl)Cl |
Title of publication | Structures and solution dynamics of pseudorotaxanes mediated by alkali-metal cations. |
Authors of publication | Pascu, Sofia I.; Naumann, Christoph; Kaiser, Guido; Bond, Andrew D.; Sanders, Jeremy K. M.; Jarrosson, Thibaut |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 35 |
Pages of publication | 3874 - 3884 |
a | 11.413 ± 0.006 Å |
b | 12.236 ± 0.005 Å |
c | 16.274 ± 0.005 Å |
α | 98.19 ± 0.03° |
β | 105.66 ± 0.02° |
γ | 99.55 ± 0.04° |
Cell volume | 2115.6 ± 1.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1229 |
Residual factor for significantly intense reflections | 0.1017 |
Weighted residual factors for significantly intense reflections | 0.2691 |
Weighted residual factors for all reflections included in the refinement | 0.2897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.6904 Å |
Diffraction radiation type | synchrotron |
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/7005842.html
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