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Information card for entry 2238626
Preview
| Coordinates | 2238626.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Dihydrocyclam dimaleate |
|---|---|
| Chemical name | 1,4,8,11-Tetraazacyclotetradecane-1,8-diium bis(3-carboxyprop-2-enoate) |
| Formula | C18 H32 N4 O8 |
| Calculated formula | C18 H32 N4 O8 |
| Title of publication | Dihydrocyclam dimaleate [H~2~(cyclam)(maleate)~2~] |
| Authors of publication | Mireille Ninon, Mbonzi Ombenga; Fahim, Mohammed; Lachkar, Mohammed; Marco Contelles, José Luis; Perles, Josefina; El Bali, Brahim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 10 |
| Pages of publication | o1574 - o1575 |
| a | 8.2925 ± 0.0001 Å |
| b | 13.5841 ± 0.0002 Å |
| c | 19.2995 ± 0.0003 Å |
| α | 90° |
| β | 98.797 ± 0.001° |
| γ | 90° |
| Cell volume | 2148.44 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.033 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0819 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238626.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238626.cif |
| 89568 | 2013-11-06 | cif/ Adding structures of 2238626 via cif-deposit CGI script. |
2238626.cif |
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Users of the data should acknowledge the original authors of the
structural data.