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Information card for entry 4036722
Preview
| Coordinates | 4036722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Cl2 N4 O4 |
|---|---|
| Calculated formula | C36 H36 Cl2 N4 O4 |
| Title of publication | Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy. |
| Authors of publication | Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin |
| Journal of publication | Organic chemistry frontiers : an international journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 1716 - 1724 |
| a | 37.839 ± 0.004 Å |
| b | 25.19 ± 0.002 Å |
| c | 13.63 ± 0.0014 Å |
| α | 90° |
| β | 101.307 ± 0.002° |
| γ | 90° |
| Cell volume | 12739 ± 2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0858 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1739 |
| Weighted residual factors for all reflections included in the refinement | 0.1865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235132 (current) | 2019-11-23 | cif/ Adding structures of 4036721, 4036722, 4036723 via cif-deposit CGI script. |
4036722.cif |
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Users of the data should acknowledge the original authors of the
structural data.