Information card for entry 7129852
| Formula |
C40 H40 O4 S |
| Calculated formula |
C40 H40 O4 S |
| 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 |
17.656 ± 0.0002 Å |
| b |
12.29932 ± 0.00013 Å |
| c |
17.807 ± 0.0002 Å |
| α |
90° |
| β |
101.282 ± 0.0011° |
| γ |
90° |
| Cell volume |
3792.19 ± 0.07 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.0553 |
| Residual factor for significantly intense reflections |
0.0449 |
| Weighted residual factors for significantly intense reflections |
0.1206 |
| Weighted residual factors for all reflections included in the refinement |
0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
| 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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The link is:
https://www.crystallography.net/7129852.html
