Information card for entry 4513668
| Formula |
C29 H45 I N2 O S |
| Calculated formula |
C29 H45 I N2 O S |
| Title of publication |
Engineering of Organic Chromophores with Large Second-Order Optical Nonlinearity and Superior Crystal Growth Ability |
| Authors of publication |
Chen, Honghong; Ma, Qi; Zhou, Yuqiao; Yang, Zhou; Jazbinsek, Mojca; Bian, Yongzhong; Ye, Ning; Wang, Dong; Cao, Hui; He, Wanli |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2015 |
| Journal volume |
15 |
| Journal issue |
11 |
| Pages of publication |
5560 |
| a |
12.3912 ± 0.0015 Å |
| b |
7.216 ± 0.0008 Å |
| c |
16.781 ± 0.002 Å |
| α |
90° |
| β |
92.145 ± 0.011° |
| γ |
90° |
| Cell volume |
1499.4 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0715 |
| Residual factor for significantly intense reflections |
0.0591 |
| Weighted residual factors for significantly intense reflections |
0.1677 |
| Weighted residual factors for all reflections included in the refinement |
0.1813 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.083 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4513668.html
