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Information card for entry 1551736
Preview
| Coordinates | 1551736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 N2 O5 S |
|---|---|
| Calculated formula | C6 H12 N2 O5 S |
| SMILES | S(=O)(=O)([O-])[O-].[nH+]1cc(ccc1)C[NH3+].O |
| Title of publication | Synthesis and Crystal Structure of (3-NH3CH2C5H4NH)SO4·H2O |
| Authors of publication | MAROUANI, Houda; RZAIGUI, Mohamed; AL-DEYAB, Salem S. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 25 |
| a | 6.493 ± 0.005 Å |
| b | 11.56 ± 0.006 Å |
| c | 13.384 ± 0.008 Å |
| α | 90° |
| β | 118.19 ± 0.05° |
| γ | 90° |
| Cell volume | 885.4 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1224 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.1775 |
| Weighted residual factors for all reflections included in the refinement | 0.208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.56083 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216348 (current) | 2019-06-20 | cif/ Adding structures of 1551736 via cif-deposit CGI script. |
1551736.cif |
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Users of the data should acknowledge the original authors of the
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