Information card for entry 4032838
| Formula |
C24 H13 Br F2 |
| Calculated formula |
C24 H13 Br F2 |
| SMILES |
Brc1c2ccc(F)cc2c(c2cc3ccccc3cc12)c1ccc(F)cc1 |
| Title of publication |
PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes. |
| Authors of publication |
Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2017 |
| Journal volume |
82 |
| Journal issue |
19 |
| Pages of publication |
10051 - 10061 |
| a |
9.3519 ± 0.0019 Å |
| b |
9.4398 ± 0.0019 Å |
| c |
11.185 ± 0.002 Å |
| α |
95.51 ± 0.004° |
| β |
114.285 ± 0.004° |
| γ |
101.901 ± 0.004° |
| Cell volume |
862.4 ± 0.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0447 |
| Residual factor for significantly intense reflections |
0.0347 |
| Weighted residual factors for significantly intense reflections |
0.0891 |
| Weighted residual factors for all reflections included in the refinement |
0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
| 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/4032838.html
