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Information card for entry 2244180
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| Coordinates | 2244180.cif | 
|---|---|
| Structure factors | 2244180.hkl | 
| Original IUCr paper | HTML | 
| Common name | <i>N</i>-{[Diphenyl(vinyl)silyl]methyl}-2-methylpropan-2-ammonium chloride | 
|---|---|
| Chemical name | <i>tert</i>-Butyl[(ethenyldiphenylsilyl)methyl]azanium chloride | 
| Formula | C19 H26 Cl N Si | 
| Calculated formula | C19 H26 Cl N Si | 
| SMILES | [Cl-].[Si](C=C)(c1ccccc1)(c1ccccc1)C[NH2+]C(C)(C)C | 
| Title of publication | Crystal structure and Hirshfeld surface analysis of <i>N-</i>{[diphenyl(vinyl)silyl]methyl}-2-methylpropan-2-ammonium chloride | 
| Authors of publication | Schwab, Christoph; Voss, Andreas; Strohmann, Carsten | 
| Journal of publication | Acta Crystallographica Section E | 
| Year of publication | 2022 | 
| Journal volume | 78 | 
| Journal issue | 10 | 
| a | 9.732 ± 0.0011 Å | 
| b | 19.0598 ± 0.0015 Å | 
| c | 10.9186 ± 0.001 Å | 
| α | 90° | 
| β | 110.526 ± 0.004° | 
| γ | 90° | 
| Cell volume | 1896.7 ± 0.3 Å3 | 
| Cell temperature | 100 K | 
| Ambient diffraction temperature | 100.01 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 | 0.0504 | 
| Residual factor for significantly intense reflections | 0.0367 | 
| Weighted residual factors for significantly intense reflections | 0.0825 | 
| Weighted residual factors for all reflections included in the refinement | 0.089 | 
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 | 
| Diffraction radiation wavelength | 0.71073 Å | 
| Diffraction radiation type | MoKα | 
| Has coordinates | Yes | 
| Has disorder | No | 
| Has Fobs | Yes | 
| Revision | Date | Message | Files | 
|---|---|---|---|
| 278106 (current) | 2022-09-23 | cif/ hkl/ Adding structures of 2244180 via cif-deposit CGI script. | 2244180.cif 2244180.hkl | 
          All data in the COD and the database itself are dedicated to the
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          Users of the data should acknowledge the original authors of the
          structural data.