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Information card for entry 2011015
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| Coordinates | 2011015.cif |
|---|---|
| Structure factors | 2011015.hkl |
| Original IUCr paper | HTML |
| Common name | oxazol-5(4H)-one from Z-(Aib)~4~-OH |
|---|---|
| Chemical name | benzyl N-[8-(4,4-dimethyl-5-oxooxazol-2-yl)-2,5,5,8-tetramethyl-3,6-dioxo-4,7- diazanon-2-yl]carbamate |
| Formula | C24 H34 N4 O6 |
| Calculated formula | C24 H34 N4 O6 |
| SMILES | c1(ccccc1)COC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C1=NC(C)(C)C(=O)O1 |
| Title of publication | An oxazol-5(4<i>H</i>)-one from benzyloxycarbonyl-(Aib)~4~-OH |
| Authors of publication | Crisma, Marco; Formaggio, Fernando; Toniolo, Claudio |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | 695 - 696 |
| a | 9.324 ± 0.002 Å |
| b | 25.149 ± 0.003 Å |
| c | 11.753 ± 0.002 Å |
| α | 90° |
| β | 108 ± 0.05° |
| γ | 90° |
| Cell volume | 2621.1 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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