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Information card for entry 1557343
Preview
| Coordinates | 1557343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | N(6),N(6)-Dimethyl-adeninium bisulfate |
|---|---|
| Formula | C7 H11 N5 O4 S |
| Calculated formula | C7 N5 O4 S |
| SMILES | S(=O)(=O)(O)[O-].[nH+]1cnc2[nH]cnc2c1N(C)C |
| Title of publication | Crystal Structures of N(6),N(6)-Dimethyladeninium Bisulfate and N(6)-Methyladeninium Hemisulfate Dihydrate |
| Authors of publication | Dahl, Tor; Fossli, Dag; Rasmussen, Inge |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1996 |
| Journal volume | 50 |
| Pages of publication | 24 - 28 |
| a | 22.649 ± 0.004 Å |
| b | 6.591 ± 0.0007 Å |
| c | 14.471 ± 0.002 Å |
| α | 90° |
| β | 106.661 ± 0.013° |
| γ | 90° |
| Cell volume | 2069.5 ± 0.5 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248312 (current) | 2020-02-20 | cif/ Adding structures of 1557343 via cif-deposit CGI script. |
1557343.cif |
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