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Information card for entry 1507376
Preview
| Coordinates | 1507376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H25 N3 O4 |
|---|---|
| Calculated formula | C28 H25 N3 O4 |
| SMILES | O(C(=O)[C@@](Nc1ccccc1)(c1ccccc1)[C@H](Nc1ccccc1)c1ccc(N(=O)=O)cc1)C.O(C(=O)[C@](Nc1ccccc1)(c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(N(=O)=O)cc1)C |
| Title of publication | A novel three-component reaction catalyzed by dirhodium(II) acetate: decomposition of phenyldiazoacetate with arylamine and imine for highly diastereoselective synthesis of 1,2-diamines. |
| Authors of publication | Wang, Yuanhua; Zhu, Yanxin; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao; Doyle, Michael P. |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 3923 - 3926 |
| a | 26.465 ± 0.005 Å |
| b | 9.181 ± 0.001 Å |
| c | 9.973 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2423.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.838 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507376.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507376.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507376.cif |
| 53870 | 2012-04-20 | cif/ Adding structures of 1507376 via cif-deposit CGI script. |
1507376.cif |
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