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Information card for entry 1553135
Preview
| Coordinates | 1553135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H12 N2 O7 S |
|---|---|
| Calculated formula | C11 H12 N2 O7 S |
| SMILES | c1(ccc(cc1)S(=O)(=O)N1CO[C@@H]([C@H]1C(=O)O)C)N(=O)=O |
| Title of publication | Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application |
| Authors of publication | Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2015 |
| Journal volume | 2 |
| Journal issue | 8 |
| Pages of publication | 890 |
| a | 15.41418 ± 0.00014 Å |
| b | 15.41418 ± 0.00014 Å |
| c | 5.95145 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1414.05 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0932 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1553135.cif |
| 233627 | 2019-11-23 | cif/ Adding structures of 1553134, 1553135 via cif-deposit CGI script. |
1553135.cif |
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Users of the data should acknowledge the original authors of the
structural data.