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Information card for entry 7214495
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Coordinates | 7214495.cif |
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Original paper (by DOI) | HTML |
Common name | bis(N,N-dimethylurea) succinic acid |
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Chemical name | bis(N,N-dimethylurea) butanedioic acid |
Formula | C10 H22 N4 O6 |
Calculated formula | C10 H22 N4 O6 |
SMILES | C(=O)(N)N(C)C.C(=O)(N)N(C)C.C(=O)(CCC(=O)O)O |
Title of publication | Engineering short, strong hydrogen bonds in urea di-carboxylic acid complexes |
Authors of publication | Jones, Andrew O. F.; Leech, Charlotte K.; McIntyre, Garry J.; Wilson, Chick C.; Thomas, Lynne H. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 35 |
Pages of publication | 8177 |
a | 8.6629 ± 0.0012 Å |
b | 5.6284 ± 0.0006 Å |
c | 15.152 ± 0.002 Å |
α | 90° |
β | 100.948 ± 0.004° |
γ | 90° |
Cell volume | 725.34 ± 0.16 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0408 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.1078 |
Weighted residual factors for all reflections included in the refinement | 0.1113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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