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Information card for entry 7211664
Preview
Coordinates | 7211664.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H53 N9 O17 |
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Calculated formula | C33 H53 N9 O17 |
SMILES | O1c2c(C[NH2+]CCN3CC[NH2+]Cc4ccccc4OCC[NH+](CC1)CCOc1c(C[NH2+]CC3)cccc1)cccc2.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O.O |
Title of publication | Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands |
Authors of publication | Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 413 |
a | 10.947 ± 0.004 Å |
b | 25.408 ± 0.006 Å |
c | 15.235 ± 0.005 Å |
α | 90° |
β | 106.129 ± 0.002° |
γ | 90° |
Cell volume | 4071 ± 2 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0941 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1589 |
Weighted residual factors for all reflections included in the refinement | 0.2042 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71069 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/7211664.html
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