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Information card for entry 2205171
Preview
| Coordinates | 2205171.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-methoxycarbonylamino-3-phenylpropionate |
|---|---|
| Formula | C13 H17 N O4 |
| Calculated formula | C13 H17 N O4 |
| SMILES | O(C(=O)NC(C(=O)OCC)Cc1ccccc1)C |
| Title of publication | Ethyl 2-methoxycarbonylamino-3-phenylpropionate |
| Authors of publication | Bin Tan; Hua Fang; Zan-Bin Wei; Li-Ren Jin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | o298 - o300 |
| a | 8 ± 0.004 Å |
| b | 8.753 ± 0.004 Å |
| c | 9.752 ± 0.005 Å |
| α | 102.716 ± 0.009° |
| β | 94.939 ± 0.008° |
| γ | 94.976 ± 0.009° |
| Cell volume | 659.7 ± 0.6 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.072 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.151 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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