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Information card for entry 2203267
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| Coordinates | 2203267.cif |
|---|---|
| Structure factors | 2203267.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-(8-Quinolyl)-o-(1,1,3,3-tetramethylguanidino)phenylamine |
|---|---|
| Formula | C20 H23 N5 |
| Calculated formula | C20 H23 N5 |
| SMILES | n1c2c(ccc1)cccc2Nc1ccccc1N=C(N(C)C)N(C)C |
| Title of publication | <i>N</i>-(8-Quinolyl)-<i>o</i>-(1,1,3,3-tetramethylguanidino)phenylamine |
| Authors of publication | Seshadri, Tarimala; Flörke, Ulrich; Henkel, Gerald |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 3 |
| Pages of publication | o401 - o402 |
| a | 9.2842 ± 0.0005 Å |
| b | 12.2427 ± 0.0007 Å |
| c | 16.349 ± 0.0009 Å |
| α | 90° |
| β | 101.463 ± 0.001° |
| γ | 90° |
| Cell volume | 1821.22 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0656 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1149 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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