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Information card for entry 2011849
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| Coordinates | 2011849.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Boc-Aib-Obzl |
|---|---|
| Chemical name | tert butyloxycarbonyl-α-aminoisobutyrate |
| Formula | C16 H23 N O4 |
| Calculated formula | C16 H23 N O4 |
| SMILES | N(C(C(=O)OCc1ccccc1)(C)C)C(=O)OC(C)(C)C |
| Title of publication | Benzyl <i>tert</i>-butoxycarbonyl-α-aminoisobutyrate |
| Authors of publication | Leduc, Anne-Marie; Mashuta, Mark S.; Spatola, Arno F. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 487 - 488 |
| a | 9.273 ± 0.003 Å |
| b | 9.333 ± 0.003 Å |
| c | 10.372 ± 0.004 Å |
| α | 94.16 ± 0.02° |
| β | 112.17 ± 0.02° |
| γ | 93.09 ± 0.02° |
| Cell volume | 825.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for all reflections included in the refinement | 0.1159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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