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Information card for entry 7211665
Preview
Coordinates | 7211665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H57 N9 O17 |
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Calculated formula | C33 H49 N9 O17 |
SMILES | O1c2cccc(C[NH2+]CC[NH+]3CC[NH2+]Cc4cccc(OCCN(CC1)CCOc1cccc(C[NH2+]CC3)c1)c4)c2.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 | 16.091 ± 0.004 Å |
b | 25.497 ± 0.006 Å |
c | 19.744 ± 0.005 Å |
α | 90° |
β | 93.33 ± 0.005° |
γ | 90° |
Cell volume | 8087 ± 3 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1139 |
Residual factor for significantly intense reflections | 0.0767 |
Weighted residual factors for significantly intense reflections | 0.1643 |
Weighted residual factors for all reflections included in the refinement | 0.2333 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
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/7211665.html
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