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Information card for entry 2015383
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Coordinates | 2015383.cif |
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Original IUCr paper | HTML |
Common name | saccharin, ethylenedimaine |
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Chemical name | ethylenediaminium bis(saccharinate) |
Formula | C16 H18 N4 O6 S2 |
Calculated formula | C16 H18 N4 O6 S2 |
SMILES | c1cc2S(=O)([O-])=NC(=O)c2cc1.N1=S([O-])(=O)c2c(C1=O)cccc2.[NH3+]CC[NH3+] |
Title of publication | Solid-state architecture of saccharin salts of some diamines |
Authors of publication | Rahul Banerjee; Binoy K. Saha; Gautam R. Desiraju |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | o346 - o349 |
a | 7.1684 ± 0.0019 Å |
b | 9.964 ± 0.003 Å |
c | 13.185 ± 0.004 Å |
α | 84.557 ± 0.004° |
β | 86.387 ± 0.004° |
γ | 76.149 ± 0.004° |
Cell volume | 909.5 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0824 |
Residual factor for significantly intense reflections | 0.0519 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1303 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2015383.html
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