Information card for entry 7247876
| Formula |
C36 H24 B N S2 |
| Calculated formula |
C36 H24 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 |
12.1328 ± 0.0006 Å |
| b |
12.2744 ± 0.0005 Å |
| c |
19.0272 ± 0.0009 Å |
| α |
103.921 ± 0.003° |
| β |
97.005 ± 0.003° |
| γ |
98.421 ± 0.003° |
| Cell volume |
2684 ± 0.2 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0872 |
| Residual factor for significantly intense reflections |
0.0765 |
| Weighted residual factors for significantly intense reflections |
0.2039 |
| Weighted residual factors for all reflections included in the refinement |
0.219 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.068 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7247876.html
