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CIF Information Card
Information card for 2015384
2015383 << 2015384 >> 2015385Preview
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Coordinates |
2015384.cif |
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Structure factors |
2015384.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Common name | saccharin, 1,4-butyldiamine |
| Chemical name | butane-1,4-diaminium bis(saccharinate) |
| Formula | - C18 H22 N4 O6 S2 - |
| Calculated formula | - C18 H22 N4 O6 S2 - |
| 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 | 9.0016 ± 0.0011 Å |
| b | 11.2539 ± 0.0013 Å |
| c | 10.0269 ± 0.0012 Å |
| α | 90° |
| β | 109.196 ± 0.001° |
| γ | 90° |
| Cell volume | 959.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0328 |
| Residual factor for observed reflections | 0.0315 |
| Weighted residual factors for the observed reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for observed reflections | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |