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Information card for entry 1509249
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1509249.cif |
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Original paper (by DOI) | HTML |
Common name | 18-crown-6-KCl-dihydrate |
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Chemical name | 1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,dihydrate |
Formula | C12 H28 Cl K O8 |
Calculated formula | C12 H26 Cl K O8 |
SMILES | [K]12345([OH2])([OH2])(Cl)[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6 |
Title of publication | Transmembrane anion transport mediated by halogen-bond donors. |
Authors of publication | Jentzsch, Andreas Vargas; Emery, Daniel; Mareda, Jiri; Nayak, Susanta K; Metrangolo, Pierangelo; Resnati, Giuseppe; Sakai, Naomi; Matile, Stefan |
Journal of publication | Nature Communications |
Year of publication | 2012 |
Journal volume | 3 |
Pages of publication | 905 |
a | 9.782 ± 0.0005 Å |
b | 14.983 ± 0.0006 Å |
c | 12.1152 ± 0.0006 Å |
α | 90° |
β | 92.886 ± 0.002° |
γ | 90° |
Cell volume | 1773.4 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.0736 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for significantly intense reflections | 0.1332 |
Weighted residual factors for all reflections included in the refinement | 0.144 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1509249.html
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