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Information card for entry 7233381
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Coordinates | 7233381.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | methyl 2-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)selanyl)benzoate |
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Formula | C18 H17 N3 O2 Se |
Calculated formula | C18 H17 N3 O2 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 | 12.6478 ± 0.001 Å |
b | 10.1017 ± 0.0008 Å |
c | 26.833 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3428.3 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1656 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.0992 |
Weighted residual factors for all reflections included in the refinement | 0.1373 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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