Information card for entry 1550994
| Formula |
C98 H144 K2 N10 O10 |
| Calculated formula |
C98 H144 K2 N10 O10 |
| Title of publication |
Synthesis of aminyl biradicals by base-induced Csp3–Csp3 coupling of cationic azo dyes |
| Authors of publication |
Liu, Yizhu; Varava, Paul; Fabrizio, Alberto; Eymann, Léonard Y. M.; Tskhovrebov, Alexander G.; Planes, Ophélie Marie; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Sienkiewicz, Andrzej; Corminboeuf, Clémence; Severin, Kay |
| Journal of publication |
Chemical Science |
| Year of publication |
2019 |
| a |
12.4584 ± 0.0012 Å |
| b |
13.8311 ± 0.0012 Å |
| c |
16.8496 ± 0.0014 Å |
| α |
83.132 ± 0.007° |
| β |
89.742 ± 0.007° |
| γ |
66.134 ± 0.009° |
| Cell volume |
2633 ± 0.4 Å3 |
| Cell temperature |
140.01 ± 0.1 K |
| Ambient diffraction temperature |
140.01 ± 0.1 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1591 |
| Residual factor for significantly intense reflections |
0.0951 |
| Weighted residual factors for significantly intense reflections |
0.2621 |
| Weighted residual factors for all reflections included in the refinement |
0.3248 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.979 |
| 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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The link is:
https://www.crystallography.net/1550994.html
