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Information card for entry 7153865
Preview
| Coordinates | 7153865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H32 Cl4 Cu2 N4 O4 |
|---|---|
| Calculated formula | C20 H32 Cl4 Cu2 N4 O4 |
| SMILES | C1(COC2C3=[N]([Cu]4([N]1=2)(Cl)[Cl][Cu]1([N]2C(COC=2C2=[N]1C(CO2)(C)C)(C)C)(Cl)[Cl]4)C(C)(CO3)C)(C)C |
| Title of publication | Synthesis and characterization of bisoxazolines- and pybox-copper(ii) complexes and their application in the coupling of α-carbonyls with functionalized amines. |
| Authors of publication | Jia, Wei-Guo; Li, Dan-Dan; Dai, Yuan-Chen; Zhang, Hui; Yan, Li-Qin; Sheng, En-Hong; Wei, Yun; Mu, Xiao-Long; Huang, Kuo-Wei |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2014 |
| Journal volume | 12 |
| Journal issue | 29 |
| Pages of publication | 5509 - 5516 |
| a | 11.6403 ± 0.0009 Å |
| b | 14.5767 ± 0.0011 Å |
| c | 16.4463 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2790.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180324 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38. |
7153865.cif |
| 119516 | 2014-07-07 | cif/ Updating files of 7153865, 7153866, 7153867, 7153868 Original log message: Adding full bibliography for 7153865--7153868.cif. |
7153865.cif |
| 115586 | 2014-06-04 | cif/ Adding structures of 7153865, 7153866, 7153867, 7153868 via cif-deposit CGI script. |
7153865.cif |
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Users of the data should acknowledge the original authors of the
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