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Information card for entry 2011663
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| Coordinates | 2011663.cif |
|---|---|
| Structure factors | 2011663.hkl |
| Original IUCr paper | HTML |
| Common name | glycyl-dl-leucine |
|---|---|
| Chemical name | dl-2-(2-amino-acetylamino)-4-metyhl-pentanoic acid |
| Formula | C8 H16 N2 O3 |
| Calculated formula | C8 H16 N2 O3 |
| SMILES | O=C(NC(CC(C)C)C(=O)[O-])C[NH3+] |
| Title of publication | Racemic dipeptide glycyl-<small>DL</small>-leucine at 120K |
| Authors of publication | Bombicz, Petra; Dittrich, Birger; Strumpel, Marianna; Nabein, Hans-Peter; Luger, Peter |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 12 |
| Pages of publication | 1447 - 1449 |
| a | 29.038 ± 0.006 Å |
| b | 7.233 ± 0.001 Å |
| c | 9.629 ± 0.002 Å |
| α | 90° |
| β | 95.45 ± 0.03° |
| γ | 90° |
| Cell volume | 2013.3 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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