Information card for entry 7119397
| Formula |
C73 H96 Mg2 N8 |
| Calculated formula |
C73 H96 Mg2 N8 |
| Title of publication |
Regioselective magnesiation of N-heterocyclic molecules: securing insecure cyclic anions by a β-diketiminate-magnesium clamp. |
| Authors of publication |
Davin, Laia; McLellan, Ross; Hernán-Gómez, Alberto; Clegg, William; Kennedy, Alan R.; Mertens, Maria; Stepek, Iain A.; Hevia, Eva |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2017 |
| Journal volume |
53 |
| Journal issue |
26 |
| Pages of publication |
3653 - 3656 |
| a |
10.7648 ± 0.0008 Å |
| b |
12.8654 ± 0.0011 Å |
| c |
13.4034 ± 0.0012 Å |
| α |
96.729 ± 0.007° |
| β |
109.851 ± 0.008° |
| γ |
103.994 ± 0.007° |
| Cell volume |
1653.3 ± 0.3 Å3 |
| Cell temperature |
123 ± 2 K |
| Ambient diffraction temperature |
123 ± 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 |
0.1062 |
| Residual factor for significantly intense reflections |
0.0776 |
| Weighted residual factors for significantly intense reflections |
0.2137 |
| Weighted residual factors for all reflections included in the refinement |
0.24 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7119397.html
