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Information card for entry 7246946
Preview
| Coordinates | 7246946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 Cl N3 O3 |
|---|---|
| Calculated formula | C24 H22 Cl N3 O3 |
| SMILES | Clc1cc(c2noc(N)c2[C@@H](c2cccc(c2)C)c2cc([nH]c2)C(=O)OCC)ccc1 |
| Title of publication | Chiral spirocyclic phosphoric acid-catalyzed enantioselective synthesis of heterotriarylmethanes bearing an amino acid moiety. |
| Authors of publication | Jiaping, Jin; Woldegiorgis, Alemayehu Gashaw; Lin, Xufeng |
| Journal of publication | RSC advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 27 |
| Pages of publication | 18964 - 18973 |
| a | 11.8078 ± 0.0005 Å |
| b | 6.2764 ± 0.0003 Å |
| c | 15.6415 ± 0.0006 Å |
| α | 90° |
| β | 109.362 ± 0.001° |
| γ | 90° |
| Cell volume | 1093.64 ± 0.08 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284676 (current) | 2023-06-29 | cif/ Adding structures of 7246946 via cif-deposit CGI script. |
7246946.cif |
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Users of the data should acknowledge the original authors of the
structural data.