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Information card for entry 2241664
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| Coordinates | 2241664.cif |
|---|---|
| Structure factors | 2241664.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(6,6-Diethoxyhexyl)-3,4,5-trimethoxybenzamide |
|---|---|
| Formula | C20 H33 N O6 |
| Calculated formula | C20 H33 N O6 |
| SMILES | O(c1cc(cc(OC)c1OC)C(=O)NCCCCCC(OCC)OCC)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 | 24.6345 ± 0.0018 Å |
| b | 8.4646 ± 0.0005 Å |
| c | 10.0598 ± 0.0007 Å |
| α | 90° |
| β | 100.851 ± 0.002° |
| γ | 90° |
| Cell volume | 2060.2 ± 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 | 0.0384 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
2241664.cif 2241664.hkl |
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