Information card for entry 1560207
| Formula |
C122 H112 O4 S2 |
| Calculated formula |
C122 H112 O4 S2 |
| Title of publication |
A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid |
| Authors of publication |
Lu, Xuefeng; An, Dongyue; Han, Yi; Zou, Ya; Qiao, Yanjun; Zhang, Ning; Chang, Dongdong; Wu, Jishan; Liu, Yunqi |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| Journal volume |
12 |
| Journal issue |
11 |
| Pages of publication |
3952 - 3957 |
| a |
8.9363 ± 0.0005 Å |
| b |
15.5536 ± 0.0009 Å |
| c |
17.3731 ± 0.0009 Å |
| α |
106.709 ± 0.004° |
| β |
97.475 ± 0.004° |
| γ |
95.961 ± 0.004° |
| Cell volume |
2267.6 ± 0.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 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 |
0.1777 |
| Residual factor for significantly intense reflections |
0.0915 |
| Weighted residual factors for significantly intense reflections |
0.2296 |
| Weighted residual factors for all reflections included in the refinement |
0.2901 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.968 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1560207.html
