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Information card for entry 2008162
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| Coordinates | 2008162.cif |
|---|---|
| Structure factors | 2008162.hkl |
| Original IUCr paper | HTML |
| Chemical name | tert-butyl N-(1-aminocarbonyl-1-isopropylbut-3-enyl)carbamate |
|---|---|
| Formula | C13 H24 N2 O3 |
| Calculated formula | C13 H24 N2 O3 |
| SMILES | O=C(N)C(NC(=O)OC(C)(C)C)(CC=C)C(C)C |
| Title of publication | 2-<i>tert</i>-Butoxycarbonylamino-2-isopropyl-4-pentenamide, a new conformationally restricted α,α-dialkylglycine derivative |
| Authors of publication | Badorrey, Ramón; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.; Lapeña, Yolanda |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 241 - 243 |
| a | 10.696 ± 0.005 Å |
| b | 11.305 ± 0.005 Å |
| c | 13.301 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 110.06 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 1510.8 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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