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Information card for entry 7059176
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Coordinates | 7059176.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 F3 N2 O2 |
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Calculated formula | C15 H17 F3 N2 O2 |
Title of publication | A one-pot route to N-acyl ureas: a formal four-component hydrolytic reaction involving aminonitrones and isocyanide dibromides |
Authors of publication | Il’in, Mikhail V.; Lesnikova, Liana A.; Bolotin, Dmitrii S.; Novikov, Alexander S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2020 |
Journal volume | 44 |
Journal issue | 4 |
Pages of publication | 1253 - 1262 |
a | 5.1066 ± 0.0012 Å |
b | 11.5568 ± 0.0013 Å |
c | 12.7664 ± 0.0013 Å |
α | 100.531 ± 0.009° |
β | 94.646 ± 0.014° |
γ | 100.547 ± 0.015° |
Cell volume | 723.1 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0619 |
Residual factor for significantly intense reflections | 0.0464 |
Weighted residual factors for significantly intense reflections | 0.1157 |
Weighted residual factors for all reflections included in the refinement | 0.1328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
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/7059176.html
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Users of the data should acknowledge the original authors of the
structural data.