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Information card for entry 7211046
Preview
| Coordinates | 7211046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H32 N4 O4 |
|---|---|
| Calculated formula | C18 H32 N4 O4 |
| SMILES | C1C(CCC(C1)C(=O)NC(=O)NC(C)(C)C)C(=O)NC(=O)NC(C)(C)C |
| Title of publication | NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds |
| Authors of publication | Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 43 |
| Pages of publication | 8784 |
| a | 6.092 ± 0.003 Å |
| b | 7.325 ± 0.004 Å |
| c | 12.473 ± 0.006 Å |
| α | 73.828 ± 0.003° |
| β | 83.507 ± 0.003° |
| γ | 87.597 ± 0.002° |
| Cell volume | 531.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7211046.cif |
| 180441 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/10. |
7211046.cif |
| 90189 | 2013-11-17 | cif/ Adding structures of 7211046 via cif-deposit CGI script. |
7211046.cif |
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Users of the data should acknowledge the original authors of the
structural data.