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Information card for entry 4516902
Preview
| Coordinates | 4516902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H30 O6 |
|---|---|
| Calculated formula | C18 H30 O6 |
| SMILES | O[C@]([C@](O)(C1CCCCC1)C(=O)OC)(C1CCCCC1)C(=O)OC |
| Title of publication | Synthesis of 2,3-Dialkylated Tartaric Acid Esters via Visible Light Photoredox-Catalyzed Reductive Dimerization of α-Ketoesters. |
| Authors of publication | Zhu, Jing; Yuan, Yi; Wang, Shaozhong; Yao, Zhu-Jun |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 8 |
| Pages of publication | 4665 - 4677 |
| a | 10.37 ± 0.002 Å |
| b | 16.668 ± 0.004 Å |
| c | 13.0761 ± 0.0018 Å |
| α | 90° |
| β | 124.978 ± 0.01° |
| γ | 90° |
| Cell volume | 1851.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1227 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4516902.cif |
| 239624 | 2019-11-24 | cif/ Adding structures of 4516902 via cif-deposit CGI script. |
4516902.cif |
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Users of the data should acknowledge the original authors of the
structural data.