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Information card for entry 8107607
Preview
| Coordinates | 8107607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4-aminiumbiphenyl benzenesulfonate |
|---|---|
| Formula | C18 H17 N O3 S |
| Calculated formula | C18 H17 N O3 S |
| SMILES | [NH3+]c1ccc(cc1)c1ccccc1.O=S(=O)([O-])c1ccccc1 |
| Title of publication | The crystal structure of 4-aminiumbiphenyl benzenesulfonate, C18H17NO3S |
| Authors of publication | Shi, Chengzhe; Chen, Xinlei; Jin, Shouwen; Chen, Shiyi; Wang, Daqi |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 945 - 947 |
| a | 32.036 ± 0.003 Å |
| b | 7.2154 ± 0.0007 Å |
| c | 7.4283 ± 0.0008 Å |
| α | 90° |
| β | 99.943 ± 0.002° |
| γ | 90° |
| Cell volume | 1691.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286909 (current) | 2023-10-11 | cif/ Adding structures of 8107607 via cif-deposit CGI script. |
8107607.cif |
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Users of the data should acknowledge the original authors of the
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