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Information card for entry 7153867
Preview
| Coordinates | 7153867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H19 Br2 Cu N3 O2 |
|---|---|
| Calculated formula | C15 H19 Br2 Cu N3 O2 |
| SMILES | Br[Cu]12([n]3c(cccc3C3OCC([N]1=3)(C)C)C1OCC([N]2=1)(C)C)Br |
| 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 | 10.5479 ± 0.0007 Å |
| b | 15.7383 ± 0.0011 Å |
| c | 11.3501 ± 0.0008 Å |
| α | 90° |
| β | 99.802 ± 0.001° |
| γ | 90° |
| Cell volume | 1856.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
7153867.cif |
| 119516 | 2014-07-07 | cif/ Updating files of 7153865, 7153866, 7153867, 7153868 Original log message: Adding full bibliography for 7153865--7153868.cif. |
7153867.cif |
| 115586 | 2014-06-04 | cif/ Adding structures of 7153865, 7153866, 7153867, 7153868 via cif-deposit CGI script. |
7153867.cif |
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Users of the data should acknowledge the original authors of the
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