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Information card for entry 2021168
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| Coordinates | 2021168.cif |
|---|---|
| Structure factors | 2021168.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{(<i>R</i>,<i>S</i>)-<i>N</i>-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate |
|---|---|
| Formula | C15 H24 N O4 |
| Calculated formula | C15 H24 N O4 |
| Title of publication | Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives |
| Authors of publication | Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 7 |
| a | 11.5982 ± 0.0003 Å |
| b | 8.8651 ± 0.0002 Å |
| c | 15.2964 ± 0.0003 Å |
| α | 90° |
| β | 103.581 ± 0.002° |
| γ | 90° |
| Cell volume | 1528.79 ± 0.06 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208530 (current) | 2018-06-19 | cif/ hkl/ Adding structures of 2021168, 2021169 via cif-deposit CGI script. |
2021168.cif 2021168.hkl |
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Users of the data should acknowledge the original authors of the
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