Information card for entry 4038434
| Formula |
C31 H23 B2 Cl3 N2 S |
| Calculated formula |
C31 H B2 Cl3 N2 S |
| Title of publication |
Synthesis, Structures, and Properties of BN-Dinaphthothiophenes: Influence of B and N Placement on Photophysical Properties and Aromaticity. |
| Authors of publication |
Zhang, Qian; Sun, Zhe; Zhang, Lei; Li, Mengyuan; Zi, Lingjian; Liu, Zongyu; Zhen, Bin; Sun, Wenfang; Liu, Xuguang |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2020 |
| a |
25.915 ± 0.005 Å |
| b |
8.985 ± 0.004 Å |
| c |
25.802 ± 0.009 Å |
| α |
90° |
| β |
106.34 ± 0.03° |
| γ |
90° |
| Cell volume |
5765 ± 4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.2107 |
| Residual factor for significantly intense reflections |
0.1443 |
| Weighted residual factors for significantly intense reflections |
0.3537 |
| Weighted residual factors for all reflections included in the refinement |
0.4083 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.079 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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