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Information card for entry 8107019
Preview
| Coordinates | 8107019.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H43.33 N2 O3.67 S |
|---|---|
| Calculated formula | C22 H43.3334 N2 O3.6667 S |
| Title of publication | Crystal structure of tetrabutylammonium 4-aminobenzenesulfonate 2/3 hydrate, C22H42N2O3S · 2/3 H2O |
| Authors of publication | Cai, Yuanyuan; Sun, Ning |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 827 - 829 |
| a | 9.5273 ± 0.0001 Å |
| b | 14.885 ± 0.0002 Å |
| c | 17.582 ± 0.0002 Å |
| α | 90° |
| β | 91.188 ± 0.001° |
| γ | 90° |
| Cell volume | 2492.84 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282373 (current) | 2023-04-05 | cif/ Adding structures of 8107019 via cif-deposit CGI script. |
8107019.cif |
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Users of the data should acknowledge the original authors of the
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