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Information card for entry 1560206
Preview
| Coordinates | 1560206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H78 F9 N4 O17 S3 Yb |
|---|---|
| Calculated formula | C49 H78 F9 N4 O17 S3 Yb |
| SMILES | [Yb]123([O]=N4(CCCN5(=[O]2)[C@H]2CCC[C@H]2C[C@H]5C(=[O]3)Nc2c(cccc2CC)CC)[C@H]2CCC[C@H]2C[C@H]4C(=[O]1)Nc1c(cccc1CC)CC)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([OH]C)[OH]C.S(=O)(=O)([O-])C(F)(F)F.OC.O(CC)CC |
| Title of publication | Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester |
| Authors of publication | Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 12 |
| Pages of publication | 4353 - 4360 |
| a | 11.9789 ± 0.0005 Å |
| b | 20.7474 ± 0.0009 Å |
| c | 12.9099 ± 0.0005 Å |
| α | 90° |
| β | 106.293 ± 0.001° |
| γ | 90° |
| Cell volume | 3079.7 ± 0.2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0218 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560206.cif |
| 263714 | 2021-04-05 | cif/ Updating files of 1560204, 1560205, 1560206 Original log message: Adding full bibliography for 1560204--1560206.cif. |
1560206.cif |
| 261244 | 2021-01-27 | cif/ Adding structures of 1560204, 1560205, 1560206 via cif-deposit CGI script. |
1560206.cif |
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