Information card for entry 2229223
Chemical name |
5,11,17,23,29-Penta-<i>tert</i>-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
Formula |
C70.5 H101 Cl O5 |
Calculated formula |
C70.5 H101 Cl O5 |
Title of publication |
5,11,17,23,29-Penta-<i>tert</i>-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate |
Authors of publication |
Pojarová, Michaela; Dušek, Michal; Budka, Jan; Císařová, Ivana; Makrlík, Emanuel |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
2 |
Pages of publication |
o296 - o297 |
a |
12.374 ± 0.0002 Å |
b |
23.913 ± 0.0002 Å |
c |
43.655 ± 0.0005 Å |
α |
90° |
β |
91.746 ± 0.0005° |
γ |
90° |
Cell volume |
12911.5 ± 0.3 Å3 |
Cell temperature |
150 K |
Ambient diffraction temperature |
150 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 |
0.1162 |
Residual factor for significantly intense reflections |
0.0737 |
Weighted residual factors for all reflections |
0.1509 |
Weighted residual factors for significantly intense reflections |
0.1172 |
Weighted residual factors for all reflections included in the refinement |
0.1509 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.0178 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2229223.html