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Information card for entry 2241083
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| Coordinates | 2241083.cif |
|---|---|
| Structure factors | 2241083.hkl |
| Original IUCr paper | HTML |
| Chemical name | Benzyl(methyl)phenyl[(piperidin-1-ium-1-yl)methyl]silane bromide |
|---|---|
| Formula | C20 H28 Br N Si |
| Calculated formula | C20 H28 Br N Si |
| SMILES | [Si](C)(Cc1ccccc1)(c1ccccc1)C[NH+]1CCCCC1.[Br-] |
| Title of publication | Crystal structure of benzyl(methyl)phenyl[(piperidin-1-ium-1-yl)methyl]silane bromide |
| Authors of publication | Barth, Eva Rebecca; Golz, Christopher; Koller, Stephan G.; Strohmann, Carsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o759 |
| a | 13.9311 ± 0.0012 Å |
| b | 7.4605 ± 0.0006 Å |
| c | 19.3515 ± 0.0017 Å |
| α | 90° |
| β | 100.926 ± 0.002° |
| γ | 90° |
| Cell volume | 1974.8 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Weighted residual factors for all reflections included in the refinement | 0.0801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241083.cif 2241083.hkl |
| 158337 | 2015-09-26 | cif/ hkl/ Adding structures of 2241083 via cif-deposit CGI script. |
2241083.cif 2241083.hkl |
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Users of the data should acknowledge the original authors of the
structural data.