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Information card for entry 7158022
Preview
Coordinates | 7158022.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H20 N2 O2 S |
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Calculated formula | C19 H20 N2 O2 S |
Title of publication | Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines. |
Authors of publication | Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 18 |
Pages of publication | 4054 - 4059 |
a | 10.5135 ± 0.0009 Å |
b | 19.334 ± 0.0017 Å |
c | 9.35 ± 0.0008 Å |
α | 90° |
β | 114.646 ± 0.003° |
γ | 90° |
Cell volume | 1727.4 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0873 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.1131 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7158022.html
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structural data.