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Information card for entry 1520139
Preview
| Coordinates | 1520139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301777 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure. |
1520139.cif |
| 143677 | 2015-07-11 | cif/ Updating files of 1520138, 1520139 Original log message: Adding full bibliography for 1520138--1520139.cif. |
1520139.cif |
| 137566 | 2015-05-30 | cif/ Adding structures of 1520138, 1520139 via cif-deposit CGI script. |
1520139.cif |
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Users of the data should acknowledge the original authors of the
structural data.