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Information card for entry 4128918
Preview
Coordinates | 4128918.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H15 N O4 S |
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Calculated formula | C16 H15 N O4 S |
Title of publication | Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides. |
Authors of publication | Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 34 |
Pages of publication | 13352 - 13357 |
a | 7.6475 ± 0.0004 Å |
b | 8.1332 ± 0.0004 Å |
c | 13.0597 ± 0.0006 Å |
α | 105.357 ± 0.001° |
β | 102.201 ± 0.002° |
γ | 97.465 ± 0.001° |
Cell volume | 750.56 ± 0.06 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0323 |
Weighted residual factors for significantly intense reflections | 0.0821 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4128918.html
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structural data.