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Information card for entry 7213200
Preview
Coordinates | 7213200.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H80 N4 O6 |
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Calculated formula | C60 H72 N4 O6 |
SMILES | c12cc(cc(c1O)Cc1cc(cc(c1OCC(=O)NCc1ccccn1)Cc1cc(cc(c1O)Cc1cc(cc(c1OCC(=O)NCc1ccccn1)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Synthesis and anion coordination chemistry of new calix[4]arene pyridinium receptors |
Authors of publication | Beer, Paul D.; Drew, Michael G. B.; Gradwell, Kate |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2000 |
Journal issue | 3 |
Pages of publication | 511 |
a | 22.32 ± 0.02 Å |
b | 21.09 ± 0.02 Å |
c | 22.89 ± 0.02 Å |
α | 90° |
β | 94.583 ± 0.01° |
γ | 90° |
Cell volume | 10741 ± 17 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/c 1 |
Hall space group symbol | -I 2yc |
Residual factor for all reflections | 0.1851 |
Residual factor for significantly intense reflections | 0.0973 |
Weighted residual factors for significantly intense reflections | 0.1999 |
Weighted residual factors for all reflections included in the refinement | 0.2382 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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