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Information card for entry 2239021
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| Coordinates | 2239021.cif |
|---|---|
| Structure factors | 2239021.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Dodecylindoline-2,3-dione |
|---|---|
| Formula | C20 H29 N O2 |
| Calculated formula | C20 H29 N O2 |
| SMILES | CCCCCCCCCCCCN1c2ccccc2C(=O)C1=O |
| Title of publication | 1-Dodecylindoline-2,3-dione |
| Authors of publication | Qachchachi, Fatima-Zahrae; Ouazzani Chahdi, Fouad; Misbahi, Houria; Bodensteiner, Michael; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o229 |
| a | 25.2013 ± 0.0007 Å |
| b | 4.66818 ± 0.00009 Å |
| c | 15.7013 ± 0.0004 Å |
| α | 90° |
| β | 104.926 ± 0.003° |
| γ | 90° |
| Cell volume | 1784.84 ± 0.08 Å3 |
| Cell temperature | 123 ± 0.2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0946 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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