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Information card for entry 1554380
Preview
| Coordinates | 1554380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H28 Cl N3 O7 |
|---|---|
| Calculated formula | C29 H28 Cl N3 O7 |
| SMILES | Clc1c2N(Cc3ccccc3)C(=O)[C@](Nc3ccccc3C(=O)OC)(c2ccc1)[C@H](CN(=O)=O)C(=O)OC(C)C |
| Title of publication | A triple-functionalised metal centre-catalyzed enantioselective multicomponent reaction |
| Authors of publication | Wei, Qinghua; Ma, Xiaochu; Chen, Jianghui; Niu, Li; Yang, Xi; Xia, Fei; Liu, Shunying |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 19 |
| Pages of publication | 2799 |
| a | 8.611 ± 0.0012 Å |
| b | 11.3415 ± 0.0015 Å |
| c | 28.819 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2814.5 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1382 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237178 (current) | 2019-11-24 | cif/ Adding structures of 1554380 via cif-deposit CGI script. |
1554380.cif |
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