Information card for entry 7208810
| Chemical name |
AR-ZZ4 pentyl 4-pyridyl cavitand, 1,4-I2-F4-benzene |
| Formula |
C88 H82 F8 I4 N6 O8 |
| Calculated formula |
C88 H82 F8 I4 N6 O8 |
| Title of publication |
The quest for a molecular capsule assembled via halogen bonds |
| Authors of publication |
Aakeröy, Christer B.; Rajbanshi, Arbin; Metrangolo, Pierangelo; Resnati, Giuseppe; Parisi, Melchiorre F.; Desper, John; Pilati, Tullio |
| Journal of publication |
CrystEngComm |
| Year of publication |
2012 |
| Journal volume |
14 |
| Journal issue |
20 |
| Pages of publication |
6366 |
| a |
12.3175 ± 0.0005 Å |
| b |
13.2596 ± 0.0006 Å |
| c |
25.4769 ± 0.0011 Å |
| α |
88.893 ± 0.002° |
| β |
88.152 ± 0.002° |
| γ |
79.98 ± 0.002° |
| Cell volume |
4095 ± 0.3 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0806 |
| Residual factor for significantly intense reflections |
0.0513 |
| Weighted residual factors for significantly intense reflections |
0.1244 |
| Weighted residual factors for all reflections included in the refinement |
0.1412 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.033 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7208810.html
