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Information card for entry 2244180
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Coordinates | 2244180.cif |
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Structure factors | 2244180.hkl |
Original IUCr paper | HTML |
Common name | <i>N</i>-{[Diphenyl(vinyl)silyl]methyl}-2-methylpropan-2-ammonium chloride |
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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 |
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