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Information card for entry 7247511
Preview
| Coordinates | 7247511.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 Cl N O2 |
|---|---|
| Calculated formula | C21 H18 Cl N O2 |
| SMILES | Clc1ccc(NC(c2ccccc2)(C(=O)OC)c2ccccc2)cc1 |
| Title of publication | A novel approach for synthesizing α-amino acids via formate mediated hydrogen transfer using a carbon source |
| Authors of publication | Zhao, Tian-Tian; Zhang, Xu-Gang; He, Wen-Bo; Xu, Peng-Fei |
| Journal of publication | Green Chemistry |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 21 |
| Pages of publication | 8539 - 8543 |
| a | 10.4508 ± 0.0002 Å |
| b | 12.4654 ± 0.0002 Å |
| c | 14.1577 ± 0.0003 Å |
| α | 90° |
| β | 99.135 ± 0.002° |
| γ | 90° |
| Cell volume | 1820.98 ± 0.06 Å3 |
| Cell temperature | 300.88 ± 0.1 K |
| Ambient diffraction temperature | 300.88 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287358 (current) | 2023-11-06 | cif/ Updating files of 7247510, 7247511 Original log message: Adding full bibliography for 7247510--7247511.cif. |
7247511.cif |
| 286968 | 2023-10-14 | cif/ Adding structures of 7247510, 7247511 via cif-deposit CGI script. |
7247511.cif |
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Users of the data should acknowledge the original authors of the
structural data.