Information card for entry 7214091
| Chemical name |
TW-6-13 (2,3,5,6-Me4-pyrazine-1,4-dioxide)2, (1,2-I2-F4-benzene)4 |
| Formula |
C40 H24 F16 I8 N4 O4 |
| Calculated formula |
C40 H24 F16 I8 N4 O4 |
| Title of publication |
Constructing molecular polygons using halogen bonding and bifurcated N-oxides |
| Authors of publication |
Aakeröy, Christer B.; Wijethunga, Tharanga K.; Desper, John |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
1 |
| Pages of publication |
28 |
| a |
14.1359 ± 0.0014 Å |
| b |
15.1116 ± 0.0015 Å |
| c |
24.361 ± 0.003 Å |
| α |
90° |
| β |
105.927 ± 0.003° |
| γ |
90° |
| Cell volume |
5004.1 ± 0.9 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
6 |
| 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 |
0.0386 |
| Residual factor for significantly intense reflections |
0.0341 |
| Weighted residual factors for significantly intense reflections |
0.0793 |
| Weighted residual factors for all reflections included in the refinement |
0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7214091.html
