Information card for entry 7247875
| Formula |
C36 H22 B N S2 |
| Calculated formula |
C36 H22 B N S2 |
| Title of publication |
B-embedded disulfide-bridged π-conjugated compounds: structures and optical tuning. |
| Authors of publication |
Ye, Kaishun; Li, Gang; Li, Feiyang; Shi, Chao; Jiang, Zhen; Zhang, Fuzheng; Li, Qiuxia; Su, Jie; Song, Dandan; Yuan, Aihua |
| Journal of publication |
Physical chemistry chemical physics : PCCP |
| Year of publication |
2024 |
| Journal volume |
26 |
| Journal issue |
3 |
| Pages of publication |
2395 - 2401 |
| a |
9.1668 ± 0.0003 Å |
| b |
13.6407 ± 0.0005 Å |
| c |
20.9359 ± 0.0007 Å |
| α |
90° |
| β |
90.621 ± 0.002° |
| γ |
90° |
| Cell volume |
2617.7 ± 0.16 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
5 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0729 |
| Residual factor for significantly intense reflections |
0.0644 |
| Weighted residual factors for significantly intense reflections |
0.1586 |
| Weighted residual factors for all reflections included in the refinement |
0.169 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.029 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| 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/7247875.html
