Information card for entry 2001473
| Common name |
Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene |
| Chemical name |
25,26,27,28-Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene |
| Formula |
C52 H44 N4 O4 |
| Calculated formula |
C52 H44 N4 O4 |
| SMILES |
c1ccc(nc1)COc1c2cccc1Cc1cccc(c1OCc1ccccn1)Cc1c(c(Cc3c(c(C2)ccc3)OCc2ccccn2)ccc1)OCc1ccccn1 |
| Title of publication |
Structure of the partial cone conformer of 25,26,27,28-tetrakis[(2-pyridylmethyl)oxy]calix[4]arene |
| Authors of publication |
Ferguson, G.; Gallagher, J. F.; Pappalardo, S. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1993 |
| Journal volume |
49 |
| Journal issue |
8 |
| Pages of publication |
1537 - 1540 |
| a |
10.3739 ± 0.0005 Å |
| b |
12.0037 ± 0.0006 Å |
| c |
17.3827 ± 0.0009 Å |
| α |
81.416 ± 0.004° |
| β |
78.567 ± 0.004° |
| γ |
78.379 ± 0.004° |
| Cell volume |
2064.62 ± 0.18 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.169 |
| Residual factor for significantly intense reflections |
0.053 |
| Weighted residual factors for all reflections |
0.069 |
| Weighted residual factors for significantly intense reflections |
0.054 |
| Goodness-of-fit parameter for significantly intense reflections |
1.3 |
| Diffraction radiation wavelength |
0.7093 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2001473.html
