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Information card for entry 4504389
Preview
| Coordinates | 4504389.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (H4TETA)(suc) |
|---|---|
| Formula | C14 H30 N4 O8 |
| Calculated formula | C14 H30 N4 O8 |
| SMILES | C(C[NH2+]CC[NH2+]CC[NH3+])[NH3+].C(=O)([O-])CCC(=O)[O-].C(=O)(CCC(=O)[O-])[O-] |
| Title of publication | Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies† |
| Authors of publication | Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 1844 |
| a | 14.0595 ± 0.0002 Å |
| b | 9.1692 ± 0.0001 Å |
| c | 13.6466 ± 0.0002 Å |
| α | 90° |
| β | 92.47 ± 0.001° |
| γ | 90° |
| Cell volume | 1757.61 ± 0.04 Å3 |
| Cell temperature | 84 ± 2 K |
| Ambient diffraction temperature | 84 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208246 (current) | 2018-06-10 | cif/ Updating space group information in entries 1502857, 2015672, 2209206, 4325295, 4504389, 7020425, 7112512, 7206575. |
4504389.cif |
| 179578 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/43. |
4504389.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504389.cif |
| 45099 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504387, 4504388, 4504389 via cif-deposit CGI script. |
4504389.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.