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Information card for entry 1543346
Preview
| Coordinates | 1543346.cif |
|---|---|
| Structure factors | 1543346.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine |
|---|---|
| Formula | C17 H21 N3 O |
| Calculated formula | C17 H21 N3 O |
| SMILES | N(C1CCOCC1)(c1nccc(c1)C)c1nccc(c1)C |
| Title of publication | 4-Methyl-<i>N</i>-(4-methylpyridin-2-yl)-<i>N</i>-(3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)pyridin-2-amine |
| Authors of publication | El-Gokha, Ahmed; Schollmeyer, Dieter; Koch, Pierre |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160804 |
| a | 14.5487 ± 0.0009 Å |
| b | 10.1675 ± 0.0006 Å |
| c | 10.4269 ± 0.0006 Å |
| α | 90° |
| β | 100.104 ± 0.0017° |
| γ | 90° |
| Cell volume | 1518.47 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1137 |
| Weighted residual factors for all reflections included in the refinement | 0.1216 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183062 (current) | 2016-05-21 | cif/ hkl/ Adding structures of 1543346 via cif-deposit CGI script. |
1543346.cif 1543346.hkl |
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Users of the data should acknowledge the original authors of the
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