Information card for entry 7242238
| Chemical name |
2,5-Dihexyl-3,6-bis(4-hydroxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione |
| Formula |
C30 H36 N2 O4 |
| Calculated formula |
C30 H36 N2 O4 |
| Title of publication |
Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives |
| Authors of publication |
Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
8 |
| Pages of publication |
1796 - 1814 |
| a |
5.2797 ± 0.0014 Å |
| b |
7.831 ± 0.002 Å |
| c |
16.028 ± 0.003 Å |
| α |
76.61 ± 0.02° |
| β |
85.29 ± 0.02° |
| γ |
76.64 ± 0.02° |
| Cell volume |
626.9 ± 0.3 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 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 |
0.1663 |
| Residual factor for significantly intense reflections |
0.088 |
| Weighted residual factors for significantly intense reflections |
0.1686 |
| Weighted residual factors for all reflections included in the refinement |
0.2184 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.983 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7242238.html
