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Information card for entry 2011422
Preview
| Coordinates | 2011422.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | benzyl 2-carboxy-3-ethyl-4-methylpyrrole-5-carboxylate |
|---|---|
| Formula | C16 H17 N O4 |
| Calculated formula | C16 H17 N O4 |
| Title of publication | Benzyl 5-carboxy-4-ethyl-3-methylpyrrole-2-carboxylate |
| Authors of publication | Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rocha Gonsalves, A. M. d'A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1263 - 1264 |
| a | 22.195 ± 0.006 Å |
| b | 5.2607 ± 0.0013 Å |
| c | 25.413 ± 0.003 Å |
| α | 90° |
| β | 98.938 ± 0.015° |
| γ | 90° |
| Cell volume | 2931.2 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.138 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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