Information card for entry 1566790
Chemical name |
5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine bis(1,2,3,5-tetrafluoro-4,6-diiodobenzene) |
Formula |
C26 H13 F8 I4 N3 |
Calculated formula |
C26 H13 F8 I4 N3 |
Title of publication |
5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/2) |
Authors of publication |
Bosch, Eric; Bowling, Nathan P. |
Journal of publication |
IUCrData |
Year of publication |
2022 |
Journal volume |
7 |
Journal issue |
4 |
Pages of publication |
x220380 |
a |
9.1574 ± 0.0005 Å |
b |
12.0339 ± 0.0006 Å |
c |
14.0667 ± 0.0007 Å |
α |
91.989 ± 0.001° |
β |
96.924 ± 0.001° |
γ |
102.996 ± 0.001° |
Cell volume |
1496.35 ± 0.13 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0229 |
Residual factor for significantly intense reflections |
0.0202 |
Weighted residual factors for significantly intense reflections |
0.0452 |
Weighted residual factors for all reflections included in the refinement |
0.0463 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.09 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1566790.html