Information card for entry 7229516
| Formula |
C41 H34 Cl3 N3 O4 S |
| Calculated formula |
C41 H34 Cl3 N3 O4 S |
| Title of publication |
Thionated naphthalene diimides: tuneable chromophores for applications in photoactive dyads. |
| Authors of publication |
Pearce, Nicholas; Davies, E. Stephen; Horvath, Raphael; Pfeiffer, Constance R.; Sun, Xue-Zhong; Lewis, William; McMaster, Jonathan; George, Michael W.; Champness, Neil R. |
| Journal of publication |
Physical chemistry chemical physics : PCCP |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
2 |
| Pages of publication |
752 - 764 |
| a |
8.7193 ± 0.0003 Å |
| b |
11.6007 ± 0.0004 Å |
| c |
18.7861 ± 0.0009 Å |
| α |
87.754 ± 0.003° |
| β |
87.804 ± 0.003° |
| γ |
78.925 ± 0.003° |
| Cell volume |
1862.47 ± 0.13 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1121 |
| Residual factor for significantly intense reflections |
0.1021 |
| Weighted residual factors for significantly intense reflections |
0.3062 |
| Weighted residual factors for all reflections included in the refinement |
0.3289 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.409 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7229516.html
