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Information card for entry 2005156
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| Coordinates | 2005156.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate |
|---|---|
| Formula | C18 H19 N O4 |
| Calculated formula | C18 H19 N O4 |
| SMILES | O(C)C(=O)C(NC(=O)OC)C(c1ccccc1)c1ccccc1 |
| Title of publication | Methyl 2-Methoxycarbonylamino-3,3-diphenylpropionate, an Interesting Diphenylalanine (DIP) Derivative |
| Authors of publication | Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1789 - 1791 |
| a | 8.222 ± 0.002 Å |
| b | 12.244 ± 0.003 Å |
| c | 17.277 ± 0.004 Å |
| α | 90° |
| β | 99 ± 0.01° |
| γ | 90° |
| Cell volume | 1717.9 ± 0.7 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2105 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections | 0.2042 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Goodness-of-fit parameter for all reflections | 1.015 |
| Goodness-of-fit parameter for significantly intense reflections | 1.234 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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