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Information card for entry 7034932
Preview
Coordinates | 7034932.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H42 N8 O10 |
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Calculated formula | C48 H40 N8 O10 |
SMILES | O(c1ccc(NC(=O)c2ccc(C#N)cc2)cc1)CC[NH+](CCOc1ccc(NC(=O)c2ccc(C#N)cc2)cc1)CCOc1ccc(NC(=O)c2ccc(cc2)C#N)cc1.O=N(=O)[O-].O.O |
Title of publication | Anion complexation with cyanobenzoyl substituted first and second generation tripodal amide receptors: crystal structure and solution studies. |
Authors of publication | Hoque, Md Najbul; Gogoi, Abhijit; Das, Gopal |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 34 |
Pages of publication | 15220 - 15231 |
a | 16.7671 ± 0.0005 Å |
b | 18.6175 ± 0.0005 Å |
c | 28.0023 ± 0.001 Å |
α | 90° |
β | 102.197 ± 0.003° |
γ | 90° |
Cell volume | 8543.9 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1103 |
Residual factor for significantly intense reflections | 0.0711 |
Weighted residual factors for significantly intense reflections | 0.2733 |
Weighted residual factors for all reflections included in the refinement | 0.315 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/7034932.html
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