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Information card for entry 4034706
Preview
Coordinates | 4034706.cif |
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Original paper (by DOI) | HTML |
Formula | C5 H3 F2 N O3 |
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Calculated formula | C5 H3 F2 N O3 |
Title of publication | Regioselective Synthesis of Functionalized 3- or 5-Fluoroalkyl Isoxazoles and Pyrazoles from Fluoroalkyl Ynones and Binucleophiles. |
Authors of publication | Chalyk, Bohdan A.; Khutorianskyi, Andrii; Lysenko, Andrii; Fil, Yulia; Kuchkovska, Yuliya O.; Gavrilenko, Konstantin S.; Bakanovych, Iulia; Moroz, Yurii S.; Gorlova, Alina O.; Grygorenko, Oleksandr O. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
a | 5.093 ± 0.002 Å |
b | 5.618 ± 0.002 Å |
c | 11.155 ± 0.005 Å |
α | 84.307 ± 0.015° |
β | 83.682 ± 0.014° |
γ | 78.046 ± 0.015° |
Cell volume | 309.4 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0649 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1293 |
Weighted residual factors for all reflections included in the refinement | 0.1517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4034706.html
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