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Information card for entry 1520238
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Coordinates | 1520238.cif |
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Chemical name | Glutaric Acid and 1-Methylimidazole |
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Formula | C18 H28 N4 O8 |
Calculated formula | C18 H28 N4 O8 |
SMILES | C(=O)(CCCC(=O)O)O.c1n(cc[nH+]1)C.C(=O)(CCCC(=O)[O-])[O-].c1n(cc[nH+]1)C |
Title of publication | Di-1-methylimidazolium monoglutarate glutaric acid |
Authors of publication | Callear, Samantha K.; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 2008 |
Pages of publication | 470 |
a | 8.1285 ± 0.0006 Å |
b | 9.1297 ± 0.0007 Å |
c | 13.7387 ± 0.0011 Å |
α | 89.781 ± 0.004° |
β | 89.17 ± 0.004° |
γ | 79.782 ± 0.005° |
Cell volume | 1003.28 ± 0.13 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 | 0.1929 |
Residual factor for significantly intense reflections | 0.1381 |
Weighted residual factors for significantly intense reflections | 0.3124 |
Weighted residual factors for all reflections included in the refinement | 0.3389 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/1520238.html
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