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Information card for entry 4083171
Preview
| Coordinates | 4083171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H39 N3 Ni O5 |
|---|---|
| Calculated formula | C42 H37 N3 Ni O5 |
| SMILES | [Ni]123N(c4c(C(=[N]1[C@H](C(=O)O3)[C@@H](c1ccccc1)CC(=O)c1ccccc1)c1ccccc1)cccc4)C(=O)[C@H]1[N]2(CCC1)Cc1ccccc1.O |
| Title of publication | Electrochemically Deprotonated Chiral Nickel(II) Glycinate in Stereoselective Nucleophilic Addition to Michael Acceptors: Advantages and Limitations |
| Authors of publication | Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Kiskin, Mikhail A.; Churakov, Andrei V.; Babievsky, Konstantin K.; Kochetkov, Konstantin A. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 18 |
| Pages of publication | 4629 |
| a | 10.032 ± 0.004 Å |
| b | 9.496 ± 0.005 Å |
| c | 18.872 ± 0.005 Å |
| α | 90° |
| β | 99.66 ± 0.02° |
| γ | 90° |
| Cell volume | 1772.3 ± 1.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178720 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31. |
4083171.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4083171.cif |
| 112950 | 2014-05-07 | cif/ Adding structures of 4083171 via cif-deposit CGI script. |
4083171.cif |
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Users of the data should acknowledge the original authors of the
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