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Information card for entry 8107020
Preview
| Coordinates | 8107020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H26 N2 O3 S |
|---|---|
| Calculated formula | C14 H26 N2 O3 S |
| SMILES | S(=O)(=O)(c1ccc(N)cc1)[O-].[N+](CC)(CC)(CC)CC |
| Title of publication | Crystal structure of tetraethylammonium 4-aminobenzenesulfonate, C14H26N2O3S |
| Authors of publication | Sun, Ning; Cai, Yuanyuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 831 - 832 |
| a | 7.1396 ± 0.0004 Å |
| b | 9.2946 ± 0.0005 Å |
| c | 13.4298 ± 0.0007 Å |
| α | 90° |
| β | 115.688 ± 0.004° |
| γ | 90° |
| Cell volume | 803.12 ± 0.08 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282374 (current) | 2023-04-05 | cif/ Adding structures of 8107020 via cif-deposit CGI script. |
8107020.cif |
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Users of the data should acknowledge the original authors of the
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