Information card for entry 7102298
| Formula |
C87 H60 Cl6 N15 |
| Calculated formula |
C87 H60 Cl6 N15 |
| Title of publication |
A novel reaction of 7,7,8,8-tetracyanoquinodimethane (TCNQ): charge-transfer chromophores by [2 + 2] cycloaddition with alkynes. |
| Authors of publication |
Kivala, Milan; Boudon, Corinne; Gisselbrecht, Jean-Paul; Seiler, Paul; Gross, Maurice; Diederich, François |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2007 |
| Journal issue |
45 |
| Pages of publication |
4731 - 4733 |
| a |
11.1429 ± 0.0014 Å |
| b |
16.3191 ± 0.0015 Å |
| c |
22.211 ± 0.0017 Å |
| α |
82.97 ± 0.011° |
| β |
85.747 ± 0.012° |
| γ |
81.416 ± 0.011° |
| Cell volume |
3957.2 ± 0.7 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 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 |
0.1514 |
| Residual factor for significantly intense reflections |
0.1106 |
| Weighted residual factors for significantly intense reflections |
0.2882 |
| Weighted residual factors for all reflections included in the refinement |
0.3257 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.951 |
| Diffraction radiation wavelength |
0.7107 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/7102298.html
