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Information card for entry 7112549
Preview
| Coordinates | 7112549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 Cl N O5 |
|---|---|
| Calculated formula | C18 H22 Cl N O5 |
| SMILES | Clc1ccc(C(=O)N2C(=O)O[C@H](C3(OCC(CO3)(C)C)C)[C@H]2C)cc1 |
| Title of publication | Formal asymmetric enone aminohydroxylation: organocatalytic one-pot synthesis of 4,5-disubstituted oxazolidinones |
| Authors of publication | Cruz, David Cruz; Sánchez-Murcia, Pedro A; Jørgensen, Karl Anker |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2012 |
| Journal volume | 48 |
| Journal issue | 49 |
| Pages of publication | 6112 - 6114 |
| a | 10.1884 ± 0.0003 Å |
| b | 8.84867 ± 0.00018 Å |
| c | 10.8335 ± 0.0004 Å |
| α | 90° |
| β | 112.663 ± 0.004° |
| γ | 90° |
| Cell volume | 901.27 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0269 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.703 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7107856 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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