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Information card for entry 2001183
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Coordinates | 2001183.cif |
---|---|
Original IUCr paper | HTML |
Common name | alkynyl pyridinium p-toluenesulfonate salt |
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Chemical name | 1-(3-butynyl)pyridinum p-toluenesulphonate |
Formula | C16 H17 N O3 S |
Calculated formula | C16 H15.5 N O3 S |
Title of publication | Structure of 1-(3-butynyl)pyridinium <i>p</i>-toluenesulfonate |
Authors of publication | Ferguson, G.; Gallagher, J. F.; Maguire, A. R.; Spalding, T. R.; Peters, G.; Morris, J. R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1993 |
Journal volume | 49 |
Journal issue | 12 |
Pages of publication | 2160 - 2162 |
a | 7.2214 ± 0.0005 Å |
b | 8.0172 ± 0.0007 Å |
c | 26.288 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1522 ± 0.2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P 21 c n |
Hall space group symbol | P -2n 2a |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.046 |
Weighted residual factors for all reflections | 0.097 |
Weighted residual factors for significantly intense reflections | 0.08 |
Goodness-of-fit parameter for significantly intense reflections | 1.72 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MolybdenumKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2001183.html
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