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Information card for entry 2011219
Preview
| Coordinates | 2011219.cif |
|---|---|
| Structure factors | 2011219.hkl |
| Original IUCr paper | HTML |
| Formula | C16 H23 N O4 |
|---|---|
| Calculated formula | C16 H23 N O4 |
| SMILES | O1C(=O)[C@H](N=C2[C@]1([C@@H]1C[C@H](C2)C1(C)C)C)[C@](O)(C(=O)C)C |
| Title of publication | Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis |
| Authors of publication | Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 8 |
| Pages of publication | 1037 - 1039 |
| a | 11.0434 ± 0.0005 Å |
| b | 11.0028 ± 0.0003 Å |
| c | 12.746 ± 0.0006 Å |
| α | 90 ± 0.001° |
| β | 90 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 1548.75 ± 0.11 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.319 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.