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Information card for entry 1518746
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| Coordinates | 1518746.cif |
|---|
| Formula | C19 H33 N5 O2 |
|---|---|
| Calculated formula | C19 N5 O2 |
| SMILES | OCCN1CCN(CC1)Cc1nc(ccc1)CN1CCN(CC1)CCO |
| Title of publication | Preparation, Characterization and Complexation of 4,6-Dimethyl-1,3-bis{methyl[1-(2-hydroxyethyl)piperazyl]}benzene and 2,6-Di{methyl[1-(2-hydroxyethyl)piperazyl]}pyridine |
| Authors of publication | Hietapelto, Vesa; Huuskonen, Juhani; Laitinen, Risto S.; Leppa-aho, Jaakko; Pursiainen, Jouni |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1999 |
| Journal volume | 53 |
| Pages of publication | 194 - 201 |
| a | 9.998 ± 0.002 Å |
| b | 15.476 ± 0.003 Å |
| c | 12.957 ± 0.003 Å |
| α | 90° |
| β | 92.64 ± 0.02° |
| γ | 90° |
| Cell volume | 2002.7 ± 0.7 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518746.cif |
| 132086 | 2015-02-19 | cif/ Adding structures of 1518746 via cif-deposit CGI script. |
1518746.cif |
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Users of the data should acknowledge the original authors of the
structural data.