Information card for entry 7237014
| Chemical name |
1,4,7,10-Tetra(4-(tert-butyl)phenyl)-1,4,7,10-tetraazacoronene-2,3,8,9-tetraone |
| Formula |
C66 H80 N4 O10 |
| Calculated formula |
C66 H80 N4 O10 |
| Title of publication |
From anthraquinone to heterocoronene as stable red chromophore |
| Authors of publication |
Duan, Ruomeng; Schollmeyer, Dieter; Müllen, Klaus; Li, Chen |
| Journal of publication |
Journal of Materials Chemistry C |
| Year of publication |
2018 |
| Journal volume |
6 |
| Journal issue |
6 |
| Pages of publication |
1334 |
| a |
11.3747 ± 0.0009 Å |
| b |
11.9787 ± 0.001 Å |
| c |
12.5689 ± 0.001 Å |
| α |
93.969 ± 0.002° |
| β |
107.999 ± 0.002° |
| γ |
105.44 ± 0.002° |
| Cell volume |
1548.4 ± 0.2 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 |
0.1201 |
| Residual factor for significantly intense reflections |
0.0752 |
| Weighted residual factors for significantly intense reflections |
0.2175 |
| Weighted residual factors for all reflections included in the refinement |
0.2551 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7237014.html
