Information card for entry 1569184
| Formula |
C119 H116 O4 |
| Calculated formula |
C119 H116 O4 |
| Title of publication |
From closed-shell edge-extended kekulenes to open-shell carbonylated cycloarene diradicaloid. |
| Authors of publication |
Chang, Dongdong; Zhu, Jiangyu; Sun, Yutao; Chi, Kai; Qiao, Yanjun; Wang, Teng; Zhao, Yan; Liu, Yunqi; Lu, Xuefeng |
| Journal of publication |
Chemical science |
| Year of publication |
2023 |
| Journal volume |
14 |
| Journal issue |
22 |
| Pages of publication |
6087 - 6094 |
| a |
8.6954 ± 0.0002 Å |
| b |
15.609 ± 0.0003 Å |
| c |
17.0505 ± 0.0004 Å |
| α |
103.955 ± 0.001° |
| β |
92.887 ± 0.001° |
| γ |
99.039 ± 0.001° |
| Cell volume |
2208.59 ± 0.09 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.063 |
| Residual factor for significantly intense reflections |
0.0456 |
| Weighted residual factors for significantly intense reflections |
0.1159 |
| Weighted residual factors for all reflections included in the refinement |
0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1569184.html
