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Information card for entry 1562756
Preview
| Coordinates | 1562756.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H37 N3 Ni O3 |
|---|---|
| Calculated formula | C34 H37 N3 Ni O3 |
| SMILES | [Ni]123N(c4c(C(=[N]2[C@H](C(=O)O1)CC1CCCCC1)c1ccccc1)cccc4)C(=O)[C@H]1[N]3(CCC1)Cc1ccccc1 |
| Title of publication | A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction. |
| Authors of publication | Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 24 |
| Pages of publication | 5327 - 5332 |
| a | 11.746 ± 0.002 Å |
| b | 12.121 ± 0.002 Å |
| c | 20.783 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2958.9 ± 0.9 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0638 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267227 (current) | 2021-07-05 | cif/ Updating files of 1562756, 1562757 Original log message: Adding full bibliography for 1562756--1562757.cif. |
1562756.cif |
| 265401 | 2021-05-21 | cif/ Adding structures of 1562756, 1562757 via cif-deposit CGI script. |
1562756.cif |
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Users of the data should acknowledge the original authors of the
structural data.