Information card for entry 4038869
| Formula |
C44 H62 N2 P4 |
| Calculated formula |
C44 H62 N2 P4 |
| SMILES |
P1(CN(CP(CCCCP(CN(CP(CCCC1)c1ccccc1)C(C)(C)C)c1ccccc1)c1ccccc1)C(C)(C)C)c1ccccc1 |
| Title of publication |
Dynamic covalent chemistry approach toward 18-membered P<sub>4</sub>N<sub>2</sub> macrocycles and their nickel(II) complexes. |
| Authors of publication |
Musina, Elvira I.; Wittmann, Tatiana I.; Musin, Lenar; Balueva, Anna S.; Shpagina, Alena S.; Litvinov, Igor A.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Karasik, Andrey A.; Sinyashin, Oleg G. |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2020 |
| a |
11.3964 ± 0.0005 Å |
| b |
13.8689 ± 0.0007 Å |
| c |
15.4979 ± 0.0007 Å |
| α |
106.832 ± 0.004° |
| β |
103.174 ± 0.004° |
| γ |
105.045 ± 0.004° |
| Cell volume |
2139.1 ± 0.2 Å3 |
| Cell temperature |
180 ± 2 K |
| Ambient diffraction temperature |
180 ± 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 |
0.0972 |
| Residual factor for significantly intense reflections |
0.0503 |
| Weighted residual factors for significantly intense reflections |
0.0991 |
| Weighted residual factors for all reflections included in the refinement |
0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.995 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/4038869.html
