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CIF Information Card
Information card for 2200001
2200000 << 2200001 >> 2200002Preview
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Coordinates |
2200001.cif |
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Structure factors |
2200001.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (S)-Methyl 4-methyl-2-(1H-pyrrole-2-carboxamido)pentanoate |
| Formula | - C12 H18 N2 O3 - |
| Calculated formula | - C12 H18 N2 O3 - |
| Title of publication | (<i>S</i>)-Methyl 4-methyl-2-(1<i>H</i>-pyrrole-2-carboxamido)pentanoate |
| Authors of publication | Xiang-Chao Zeng; Po-Run Liu |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | o3726 - o3727 |
| a | 8.92 ± 0.004 Å |
| b | 16.282 ± 0.008 Å |
| c | 18.504 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2688 ± 2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Residual factor for all reflections | 0.0758 |
| Residual factor for observed reflections | 0.0419 |
| Weighted residual factors for the observed reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for observed reflections | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |