Information card for entry 7705465
| Formula |
C77 H90 B2 Cu3 N12 O5 |
| Calculated formula |
C77 H90 B2 Cu3 N12 O5 |
| Title of publication |
Aerobic intramolecular carbon-hydrogen bond oxidation promoted by Cu(I) complexes. |
| Authors of publication |
Álvarez, María; Molina, Francisco; Fructos, Manuel R.; Urbano, Juan; Álvarez, Eleuterio; Sodupe, Mariona; Lledós, Agustí; Pérez, Pedro J |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2020 |
| Journal volume |
49 |
| Journal issue |
41 |
| Pages of publication |
14647 - 14655 |
| a |
30.491 ± 0.006 Å |
| b |
12.963 ± 0.002 Å |
| c |
25.072 ± 0.005 Å |
| α |
90° |
| β |
127.131 ± 0.011° |
| γ |
90° |
| Cell volume |
7901 ± 3 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 K |
| Number of distinct elements |
6 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.1 |
| Residual factor for significantly intense reflections |
0.0761 |
| Weighted residual factors for significantly intense reflections |
0.2051 |
| Weighted residual factors for all reflections included in the refinement |
0.2344 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.055 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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