Information card for entry 1520139
| Formula |
C34 H38 N4 O2 |
| Calculated formula |
C34 H38 N4 O2 |
| SMILES |
O=C(NCCNC(=O)[C@@H](NCc1ccccc1)Cc1ccccc1)[C@@H](NCc1ccccc1)Cc1ccccc1 |
| Title of publication |
Copper(ii) complexes of macrocyclic and open-chain pseudopeptidic ligands: synthesis, characterization and interaction with dicarboxylates. |
| Authors of publication |
Faggi, Enrico; Gavara, Raquel; Bolte, Michael; Fajarí, Lluís; Juliá, Luís; Rodríguez, Laura; Alfonso, Ignacio |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2015 |
| Journal volume |
44 |
| Journal issue |
28 |
| Pages of publication |
12700 - 12710 |
| a |
9.631 ± 0.003 Å |
| b |
10.027 ± 0.003 Å |
| c |
15.551 ± 0.004 Å |
| α |
86.83 ± 0.02° |
| β |
87.67 ± 0.02° |
| γ |
78.27 ± 0.02° |
| Cell volume |
1467.5 ± 0.7 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for all reflections |
0.2342 |
| Residual factor for significantly intense reflections |
0.1479 |
| Weighted residual factors for significantly intense reflections |
0.3701 |
| Weighted residual factors for all reflections included in the refinement |
0.4177 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
| 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/1520139.html
