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Information card for entry 7158120
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Coordinates | 7158120.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,2,2‒Trifluoroethyl (4‒methylpyridin‒2‒yl)carbamate |
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Formula | C9 H9 F3 N2 O2 |
Calculated formula | C9 H9 F3 N2 O2 |
Title of publication | Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols. |
Authors of publication | Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2021 |
Journal volume | 19 |
Journal issue | 27 |
Pages of publication | 6059 - 6065 |
a | 4.8119 ± 0.0002 Å |
b | 10.5336 ± 0.0004 Å |
c | 10.7314 ± 0.0004 Å |
α | 114.87 ± 0.004° |
β | 94.157 ± 0.004° |
γ | 90.003 ± 0.003° |
Cell volume | 491.92 ± 0.04 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 | 0.0385 |
Residual factor for significantly intense reflections | 0.0366 |
Weighted residual factors for significantly intense reflections | 0.1019 |
Weighted residual factors for all reflections included in the refinement | 0.1039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/7158120.html
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