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Information card for entry 2108193
Preview
| Coordinates | 2108193.cif |
|---|---|
| Structure factors | 2108193.hkl |
| Original IUCr paper | HTML |
| Formula | C6 H13 N O2 |
|---|---|
| Calculated formula | C6 H12.35 N O2 |
| Title of publication | On the stacking disorder of <small>DL</small>-norleucine |
| Authors of publication | Czech, Christian; Glinnemann, Jürgen; Johansson, Kristoffer E.; Bolte, Michael; Schmidt, Martin U. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 1075 - 1084 |
| a | 31.231 ± 0.0018 Å |
| b | 4.7296 ± 0.0004 Å |
| c | 9.8739 ± 0.0005 Å |
| α | 90° |
| β | 91.719 ± 0.005° |
| γ | 90° |
| Cell volume | 1457.82 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205695 (current) | 2018-01-26 | cif/ hkl/ Adding structures of 2108193 via cif-deposit CGI script. |
2108193.cif 2108193.hkl |
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Users of the data should acknowledge the original authors of the
structural data.