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Information card for entry 7233378
Preview
Coordinates | 7233378.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4-((2-fluorphenyl)selanyl)-3-methyl-1-phenyl-1H-pyrazol-5-amine |
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Formula | C16 H14 F N3 Se |
Calculated formula | C16 H14 F N3 Se |
Title of publication | Copper-catalyzed direct C‒H arylselenation of 4-nitro-pyrazoles and other heterocycles with selenium powder and aryl iodides. Access to unsymmetrical heteroaryl selenides |
Authors of publication | Jakubczyk, Michał; Mkrtchyan, Satenik; Madura, Izabela D.; Marek, Paulina H.; Iaroshenko, Viktor O. |
Journal of publication | RSC Advances |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 44 |
Pages of publication | 25368 |
a | 10.7344 ± 0.0004 Å |
b | 11.4734 ± 0.0004 Å |
c | 13.5667 ± 0.0005 Å |
α | 92.85 ± 0.003° |
β | 109.342 ± 0.003° |
γ | 97.713 ± 0.003° |
Cell volume | 1554.36 ± 0.1 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 | 0.083 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.0773 |
Weighted residual factors for all reflections included in the refinement | 0.0932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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217522 (current) | 2019-08-14 | cif/ Adding structures of 7233377, 7233378, 7233379, 7233380, 7233381, 7233382, 7233383, 7233384 via cif-deposit CGI script. |
7233378.cif |
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Users of the data should acknowledge the original authors of the
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