Information card for entry 7129851
Formula |
C31 H31 Br O2 |
Calculated formula |
C31 H31 Br O2 |
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 |
18.8373 ± 0.0004 Å |
b |
11.7899 ± 0.0003 Å |
c |
27.1076 ± 0.0007 Å |
α |
90° |
β |
105.181 ± 0.002° |
γ |
90° |
Cell volume |
5810.2 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0454 |
Residual factor for significantly intense reflections |
0.0406 |
Weighted residual factors for significantly intense reflections |
0.1122 |
Weighted residual factors for all reflections included in the refinement |
0.1168 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.022 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7129851.html