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Information card for entry 7243124
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Coordinates | 7243124.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 O2 S |
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Calculated formula | C17 H14 O2 S |
Title of publication | Catalyst-free, scalable heterocyclic flow photocyclopropanation |
Authors of publication | Klöpfer, Viktor; Eckl, Robert; Floß, Johannes; Roth, Philippe M. C.; Reiser, Oliver; Barham, Joshua P. |
Journal of publication | Green Chemistry |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 17 |
Pages of publication | 6366 - 6372 |
a | 11.6106 ± 0.0003 Å |
b | 16.0508 ± 0.0003 Å |
c | 7.5624 ± 0.0002 Å |
α | 90° |
β | 104.79 ± 0.002° |
γ | 90° |
Cell volume | 1362.63 ± 0.06 Å3 |
Cell temperature | 123 ± 0.1 K |
Ambient diffraction temperature | 123 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0489 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1254 |
Weighted residual factors for all reflections included in the refinement | 0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7243124.html
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Users of the data should acknowledge the original authors of the
structural data.