Information card for entry 7231451
| Formula |
C30 H32 N4 O3 |
| Calculated formula |
C30 H32 N4 O3 |
| Title of publication |
Structure-property analysis of julolidine-based nonlinear optical chromophores for the optimization of microscopic and macroscopic nonlinearity. |
| Authors of publication |
Wu, Jieyun; Wang, Wen; Wang, Nan; He, Juan; Deng, Guowei; Li, Zhonghui; Zhang, Xiaoling; Xiao, Hongyan; Chen, Kaixin |
| Journal of publication |
Physical chemistry chemical physics : PCCP |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
36 |
| Pages of publication |
23606 - 23615 |
| a |
11.085 ± 0.002 Å |
| b |
12.074 ± 0.003 Å |
| c |
20.89 ± 0.004 Å |
| α |
93.358 ± 0.002° |
| β |
90.469 ± 0.004° |
| γ |
104.074 ± 0.003° |
| Cell volume |
2706.6 ± 1 Å3 |
| Cell temperature |
153 ± 2 K |
| Ambient diffraction temperature |
153 ± 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 |
0.0722 |
| Residual factor for significantly intense reflections |
0.0557 |
| Weighted residual factors for significantly intense reflections |
0.1326 |
| Weighted residual factors for all reflections included in the refinement |
0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7231451.html
