Information card for entry 7707180
| Formula |
C36 H26 Cl N5 |
| Calculated formula |
C36 H26 Cl N5 |
| SMILES |
Clc1cc(C(n2nc(cc2c2ccccc2)c2ccccc2)n2nc(cc2c2ccccc2)c2ccccc2)ncc1 |
| Title of publication |
A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions. |
| Authors of publication |
Thomas, Fabian; Oster, Matthias; Schön, Florian; Göbgen, Kai C; Amarouch, Benedikt; Steden, Dominik; Hoffmann, Alexander; Herres-Pawlis, Sonja |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2021 |
| Journal volume |
50 |
| Journal issue |
19 |
| Pages of publication |
6444 - 6462 |
| a |
11.375 ± 0.002 Å |
| b |
11.866 ± 0.002 Å |
| c |
12.42 ± 0.003 Å |
| α |
107.92 ± 0.03° |
| β |
106.74 ± 0.03° |
| γ |
101.25 ± 0.03° |
| Cell volume |
1451.5 ± 0.8 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 |
0.1011 |
| Residual factor for significantly intense reflections |
0.06 |
| Weighted residual factors for significantly intense reflections |
0.1385 |
| Weighted residual factors for all reflections included in the refinement |
0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.008 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7707180.html
