Information card for entry 2234807
| Chemical name |
5,11,17,23,29,35-Hexa-<i>tert</i>-butyl-37,38,39,40,41,42- hexakis(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate |
| Formula |
C94 H126 N2 O18 |
| Calculated formula |
C94 H126 N2 O18 |
| Title of publication |
5,11,17,23,29,35-Hexa-<i>tert</i>-butyl-37,38,39,40,41,42-hexakis(ethoxycarbonylmethoxy)calix[6]arene acetonitrile disolvate |
| Authors of publication |
Pojarová, Michaela; Dušek, Michal; Budka, Jan; Císařová, Ivana; Makrlík, Emanuel |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2012 |
| Journal volume |
68 |
| Journal issue |
5 |
| Pages of publication |
o1418 - o1419 |
| a |
12.619 ± 0.0002 Å |
| b |
13.15 ± 0.0003 Å |
| c |
14.899 ± 0.0004 Å |
| α |
75.9037 ± 0.0011° |
| β |
67.7646 ± 0.0011° |
| γ |
74.5815 ± 0.0019° |
| Cell volume |
2177.63 ± 0.09 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 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 |
0.0871 |
| Residual factor for significantly intense reflections |
0.0614 |
| Weighted residual factors for significantly intense reflections |
0.1644 |
| Weighted residual factors for all reflections included in the refinement |
0.1828 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
| 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/2234807.html
