Information card for entry 4000999
| Formula |
C44 H30 |
| Calculated formula |
C44 H30 |
| SMILES |
c1(ccc(cc1)C1(c2ccccc2c2ccccc12)c1ccccc1)C1(c2ccccc2c2ccccc12)c1ccccc1 |
| Title of publication |
Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes |
| Authors of publication |
Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui |
| Journal of publication |
Chemistry of Materials |
| Year of publication |
2009 |
| Journal volume |
21 |
| Journal issue |
7 |
| Pages of publication |
1333 |
| a |
10.9878 ± 0.0006 Å |
| b |
11.279 ± 0.0008 Å |
| c |
12.8651 ± 0.0009 Å |
| α |
111.898 ± 0.003° |
| β |
90.934 ± 0.003° |
| γ |
97.886 ± 0.002° |
| Cell volume |
1461.41 ± 0.17 Å3 |
| Cell temperature |
113 ± 2 K |
| Ambient diffraction temperature |
113 ± 2 K |
| Number of distinct elements |
2 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0753 |
| Residual factor for significantly intense reflections |
0.0578 |
| Weighted residual factors for significantly intense reflections |
0.1169 |
| Weighted residual factors for all reflections included in the refinement |
0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.107 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/4000999.html
