Information card for entry 7231174
| Chemical name |
3,6-bis(4-chlorophenyl)-2,5-dipropyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione |
| Formula |
C24 H22 Cl2 N2 O2 |
| Calculated formula |
C24 H22 Cl2 N2 O2 |
| Title of publication |
Thermosalient effect of two polymorphs of a diketopyrrolopyrrole dye with different crystal systems and molecular arrangements |
| Authors of publication |
So, Hee-Soo; Minami, Takaya; Jindo, Takumi; Matsumoto, Shinya |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
36 |
| Pages of publication |
5317 |
| a |
11.31549 ± 0.00016 Å |
| b |
9.66903 ± 0.00015 Å |
| c |
9.86401 ± 0.00015 Å |
| α |
90° |
| β |
96.4687 ± 0.0013° |
| γ |
90° |
| Cell volume |
1072.35 ± 0.03 Å3 |
| Cell temperature |
296 K |
| Ambient diffraction temperature |
296 K |
| Number of distinct elements |
5 |
| 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 |
0.0528 |
| Residual factor for significantly intense reflections |
0.0497 |
| Weighted residual factors for significantly intense reflections |
0.1383 |
| Weighted residual factors for all reflections included in the refinement |
0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.07 |
| Diffraction radiation wavelength |
1.54187 Å |
| Diffraction radiation type |
CuKα |
| 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/7231174.html
