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Information card for entry 2021946
Preview
| Coordinates | 2021946.cif |
|---|---|
| Structure factors | 2021946.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>S</i>,<i>R</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~/(<i>R</i>,<i>S</i>)-Pms-Acp-(<i>R</i>,<i>S</i>)-Pms-Acp-NMe~2~ (1:1) |
|---|---|
| Formula | C32 H41 N3 O6 |
| Calculated formula | C32 H41 N3 O6 |
| Title of publication | Solid-state conformations of linear depsipeptide amides with an alternating sequence of α,α-disubstituted α-amino acid and α-hydroxy acid |
| Authors of publication | Linden, Anthony; Magirius, J. E. Florian; Heimgartner, Heinz |
| Journal of publication | Acta Crystallographica Section C Structural Chemistry |
| Year of publication | 2019 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 1 |
| a | 9.937 ± 0.005 Å |
| b | 18.319 ± 0.007 Å |
| c | 16.436 ± 0.003 Å |
| α | 90° |
| β | 90.19 ± 0.03° |
| γ | 90° |
| Cell volume | 2992 ± 2 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1365 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.174 |
| Weighted residual factors for all reflections included in the refinement | 0.2045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246413 (current) | 2020-01-01 | cif/ hkl/ Adding structures of 2021944, 2021945, 2021946, 2021947 via cif-deposit CGI script. |
2021946.cif 2021946.hkl |
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Users of the data should acknowledge the original authors of the
structural data.