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Information card for entry 1516391
Preview
Coordinates | 1516391.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H39 N5 O6 |
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Calculated formula | C39 H39 N5 O6 |
SMILES | N(c1ccc(cc1)C(=O)Nc1nc(ccc1)C)(c1ccc(cc1)C(=O)Nc1nc(ccc1)C)c1ccc(cc1)C.O=C(O)CCCCC(=O)O |
Title of publication | Triphenylamine-based receptors in selective recognition of dicarboxylic acids. |
Authors of publication | Ghosh, Kumaresh; Masanta, Goutam; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2009 |
Journal volume | 113 |
Journal issue | 22 |
Pages of publication | 7800 - 7809 |
a | 10.441 ± 0.001 Å |
b | 42.197 ± 0.001 Å |
c | 8.299 ± 0.001 Å |
α | 90° |
β | 111.46 ± 0.01° |
γ | 90° |
Cell volume | 3402.9 ± 0.6 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 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 | 0.1123 |
Residual factor for significantly intense reflections | 0.0881 |
Weighted residual factors for significantly intense reflections | 0.2317 |
Weighted residual factors for all reflections included in the refinement | 0.2487 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1516391.html
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