Information card for entry 7233384

Structure parameters

• Chemical name: 1-(4-ethylbenzyl)-4-nitro-3-(p-tolylselanyl)pyridine
• Formula: C19 H19 N3 O2 Se
• Calculated formula: C19 H19 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: 4.8207 ± 0.0003 Å
• b: 36.9783 ± 0.0015 Å
• c: 10.4021 ± 0.0006 Å
• α: 90°
• β: 95.86 ± 0.006°
• γ: 90°
• Cell volume: 1844.6 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1563
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No