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Information card for entry 1520207
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Coordinates | 1520207.cif |
---|
Chemical name | DL-Tartaric acid & 2-Methylimidazole |
---|---|
Formula | C8 H12 N2 O6 |
Calculated formula | C8 H12 N2 O6 |
SMILES | C(=O)([C@@H]([C@H](C(=O)[O-])O)O)O.c1(C)[nH]cc[nH+]1.C(=O)([C@H]([C@@H](C(=O)[O-])O)O)O.c1(C)[nH]cc[nH+]1 |
Title of publication | 2-Methylimidazolium DL-tartrate |
Authors of publication | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 454 |
a | 7.5625 ± 0.0018 Å |
b | 8.34 ± 0.003 Å |
c | 9.193 ± 0.006 Å |
α | 66.47 ± 0.03° |
β | 71.9 ± 0.02° |
γ | 73.03 ± 0.02° |
Cell volume | 495.8 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1256 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1312 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/1520207.html
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