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Information card for entry 1519994
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Coordinates | 1519994.cif |
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Chemical name | Fumaric acid and 1,2-dimethylimidazole |
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Formula | C9 H12 N2 O4 |
Calculated formula | C9 H12 N2 O4 |
SMILES | C(=O)(/C=C/C(=O)O)[O-].c1(C)n(cc[nH+]1)C |
Title of publication | 1,2-Dimethylimidazolium fumarate |
Authors of publication | Callear, Samantha K.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 512 |
a | 7.648 ± 0.0007 Å |
b | 11.673 ± 0.0009 Å |
c | 11.204 ± 0.0011 Å |
α | 90° |
β | 93.547 ± 0.004° |
γ | 90° |
Cell volume | 998.32 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1724 |
Residual factor for significantly intense reflections | 0.102 |
Weighted residual factors for significantly intense reflections | 0.1603 |
Weighted residual factors for all reflections included in the refinement | 0.1889 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
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/1519994.html
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