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Information card for entry 2241663
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| Coordinates | 2241663.cif |
|---|---|
| Structure factors | 2241663.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(6-Anilinohexyl)-3,4,5-trimethoxybenzamide |
|---|---|
| Formula | C22 H30 N2 O4 |
| Calculated formula | C22 H30 N2 O4 |
| SMILES | O(c1c(OC)c(OC)cc(c1)C(=O)NCCCCCCNc1ccccc1)C |
| Title of publication | Crystal structures of three 3,4,5-trimethoxybenzamide-based derivatives |
| Authors of publication | Gomes, Ligia R.; Low, John Nicolson; Oliveira, Catarina; Cagide, Fernando; Borges, Fernanda |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 675 - 682 |
| a | 11.5626 ± 0.0008 Å |
| b | 19.5328 ± 0.0009 Å |
| c | 9.5488 ± 0.0007 Å |
| α | 90° |
| β | 109.369 ± 0.008° |
| γ | 90° |
| Cell volume | 2034.5 ± 0.2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182301 (current) | 2016-04-28 | cif/ hkl/ Adding structures of 2241662, 2241663, 2241664 via cif-deposit CGI script. |
2241663.cif 2241663.hkl |
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Users of the data should acknowledge the original authors of the
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