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Information card for entry 2013017
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| Coordinates | 2013017.cif |
|---|---|
| Structure factors | 2013017.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Aminopyridinium-succinate-succinic acid (2/1/1) |
|---|---|
| Formula | C18 H24 N4 O8 |
| Calculated formula | C18 H24 N4 O8 |
| SMILES | c1(cccc[nH+]1)N.C(=O)(CCC(=O)O)O.C(=O)(CCC(=O)[O-])[O-].c1(cccc[nH+]1)N |
| Title of publication | 2-Aminopyridinium–succinate–succinic acid (2/1/1) |
| Authors of publication | Büyükgüngör, Orhan; Odabas̨oǧlu, Mustafa |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 11 |
| Pages of publication | o691 - o692 |
| a | 10.228 ± 0.002 Å |
| b | 5.184 ± 0.001 Å |
| c | 19.047 ± 0.004 Å |
| α | 90° |
| β | 103.6 ± 0.03° |
| γ | 90° |
| Cell volume | 981.6 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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