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Information card for entry 7214502
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Coordinates | 7214502.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(urea) succinic acid |
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Chemical name | bis(urea) butanedioic acid |
Formula | C6 H14 N4 O6 |
Calculated formula | C6 H14 N4 O6 |
SMILES | C(=O)(CCC(=O)O)O.C(=O)(N)N.C(=O)(N)N |
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 | 5.64 ± 0.0006 Å |
b | 8.26 ± 0.001 Å |
c | 12.28 ± 0.0013 Å |
α | 90° |
β | 96.66 ± 0.004° |
γ | 90° |
Cell volume | 568.22 ± 0.11 Å3 |
Cell temperature | 300 K |
Ambient diffraction temperature | 300 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 | 0.0678 |
Residual factor for significantly intense reflections | 0.0423 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.368 |
Diffraction radiation type | neutron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7214502.html
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