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Information card for entry 1509247
Preview
Coordinates | 1509247.cif |
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Original paper (by DOI) | HTML |
Common name | 18-crown-6-KCl-iodoperfluorobutane |
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Chemical name | 1,4,7,10,13,16-hexaoxacyclooctadecane potassiumchloride,1-Iodononafluorobutane |
Formula | C20 H24 Cl F18 I2 K O6 |
Calculated formula | C20 H24 Cl F18 I2 K O6 |
SMILES | IC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.IC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Cl-].[K]12345[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 | 28.8921 ± 0.0017 Å |
b | 9.781 ± 0.0006 Å |
c | 12.2102 ± 0.0007 Å |
α | 90° |
β | 105.762 ± 0.003° |
γ | 90° |
Cell volume | 3320.8 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0265 |
Residual factor for significantly intense reflections | 0.0184 |
Weighted residual factors for significantly intense reflections | 0.0395 |
Weighted residual factors for all reflections included in the refinement | 0.0436 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/1509247.html
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