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Information card for entry 7158122
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Coordinates | 7158122.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cyclohexyl (4‒methylpyridin‒2‒yl)carbamate |
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Formula | C13 H18 N2 O2 |
Calculated formula | C13 H18 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 | 8.3092 ± 0.0002 Å |
b | 12.0788 ± 0.0004 Å |
c | 11.8379 ± 0.0003 Å |
α | 90° |
β | 92.429 ± 0.003° |
γ | 90° |
Cell volume | 1187.05 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0465 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0975 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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