Information card for entry 7129853
| Formula |
C63 H66 Br2 O5 |
| Calculated formula |
C63 H66 Br2 O5 |
| Title of publication |
Divergent oxidative dearomatization coupling reactions to construct polycyclic cyclohexadienones |
| Authors of publication |
Pu, Qian; Huo, Mingming; Liang, Guojuan; Bai, Lijuan; Chen, Genhui; Li, Hongjiao; Xiang, Peng; Zhou, Hui; Zhou, Jing |
| Journal of publication |
Chemical Communications |
| Year of publication |
2022 |
| a |
11.4412 ± 0.0003 Å |
| b |
13.3055 ± 0.0004 Å |
| c |
21.0185 ± 0.0006 Å |
| α |
107.066 ± 0.002° |
| β |
90.028 ± 0.002° |
| γ |
112.861 ± 0.003° |
| Cell volume |
2794.6 ± 0.16 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 |
0.0889 |
| Residual factor for significantly intense reflections |
0.0667 |
| Weighted residual factors for significantly intense reflections |
0.1862 |
| Weighted residual factors for all reflections included in the refinement |
0.2105 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
| 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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https://www.crystallography.net/7129853.html
