Information card for entry 7001160
| Formula |
C28 H23 Cl N6 O |
| Calculated formula |
C28 H23 Cl N6 O |
| SMILES |
n1c(nc(nc1OCCc1cnc(cc1)c1ncc(cc1)C)N(c1ccccc1)c1ccccc1)Cl |
| Title of publication |
Selective, catalytic aerobic oxidation of alcohols using CuBr2 and bifunctional triazine-based ligands containing both a bipyridine and a TEMPO group |
| Authors of publication |
Lu, Zhengliang; Ladrak, Tim; Roubeau, Olivier; van der Toorn, John; Teat, Simon J.; Massera, Chiara; Gamez, Patrick; Reedijk, Jan |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2009 |
| Journal issue |
18 |
| Pages of publication |
3559 - 3570 |
| a |
9.8067 ± 0.0008 Å |
| b |
10.8773 ± 0.0009 Å |
| c |
12.7401 ± 0.0011 Å |
| α |
75.296 ± 0.002° |
| β |
78.66 ± 0.002° |
| γ |
70.606 ± 0.002° |
| Cell volume |
1230.46 ± 0.18 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 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 |
0.0743 |
| Residual factor for significantly intense reflections |
0.0469 |
| Weighted residual factors for significantly intense reflections |
0.1291 |
| Weighted residual factors for all reflections included in the refinement |
0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.01 |
| Diffraction radiation wavelength |
0.71069 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7001160.html
