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Information card for entry 8106336
Preview
| Coordinates | 8106336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H13 Cl N2 O4 |
|---|---|
| Calculated formula | C10 H13 Cl N2 O4 |
| Title of publication | Crystal structure of 4-(dimethylamino)-1-(prop-2-yn-1-yl)pyridin-1-ium perchlorate, C10H13ClN2O4 |
| Authors of publication | Messali, Mouslim; Aouad, Mohamed Reda; Rezki, Nadjet; Almutairi, M. Saud; Warad, Ismail |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 897 - 898 |
| a | 14.903 ± 0.002 Å |
| b | 9.1004 ± 0.0015 Å |
| c | 8.756 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1187.5 ± 0.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0285 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279728 (current) | 2022-12-06 | cif/ Adding structures of 8106336 via cif-deposit CGI script. |
8106336.cif |
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Users of the data should acknowledge the original authors of the
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