Crystallography Open Database

Information card for entry 7233384

Preview

Coordinates	7233384.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
217522 (current)	2019-08-14	cif/ Adding structures of 7233377, 7233378, 7233379, 7233380, 7233381, 7233382, 7233383, 7233384 via cif-deposit CGI script.	7233384.cif