Information card for entry 7050061
| Formula |
C48 H36 N2 O2 |
| Calculated formula |
C48 H36 N2 O2 |
| SMILES |
c12ccccc1c1ccccc1n2c1ccc(cc1)/C=C/c1c(cc(c(c1)OC)/C=C\c1ccc(cc1)n1c2ccccc2c2ccccc12)OC |
| Title of publication |
Structures and nonlinear optical properties of new symmetrical two-photon photopolymerization initiators |
| Authors of publication |
Yan, Yun-Xing; Tao, Xu-Tang; Sun, Yuan-Hong; Wang, Chuan-Kui; Xu, Gui-Bao; Yu, Wen-Tao; Zhao, Hua-Ping; Yang, Jia-Xiang; Yu, Xiao-Qiang; Wu, Yong-Zhong; Zhao, Xian; Jiang, Min-Hua |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2005 |
| Journal volume |
29 |
| Journal issue |
3 |
| Pages of publication |
479 |
| a |
8.777 ± 0.005 Å |
| b |
21.279 ± 0.005 Å |
| c |
9.934 ± 0.005 Å |
| α |
90 ± 0.005° |
| β |
97.797 ± 0.005° |
| γ |
90 ± 0.005° |
| Cell volume |
1838.2 ± 1.5 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
7 |
| Hermann-Mauguin space group symbol |
P 1 c 1 |
| Hall space group symbol |
P -2yc |
| Residual factor for all reflections |
0.166 |
| Residual factor for significantly intense reflections |
0.0648 |
| Weighted residual factors for significantly intense reflections |
0.1199 |
| Weighted residual factors for all reflections included in the refinement |
0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.939 |
| Diffraction radiation wavelength |
0.71069 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/7050061.html
