Crystallography Open Database

Information card for entry 4517535

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Coordinates	4517535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H6 F2 N4 O
Calculated formula	C16 H6 F2 N4 O
Title of publication	Dibenzo[f,h]furazano[3,4-b]quinoxalines: Synthesis by Intramolecular Cyclization through Direct Transition Metal-Free C‒H Functionalization and Electrochemical, Photophysical, and Charge Mobility Characterization
Authors of publication	Kvashnin, Yuriy A.; Verbitskiy, Egor V.; Eltsov, Oleg S.; Slepukhin, Pavel A.; Tameev, Alexey R.; Nekrasova, Natalia V.; Rusinov, Gennady L.; Nunzi, Jean-Michel; Chupakhin, Oleg N.; Charushin, Valery N.
Journal of publication	ACS Omega
Year of publication	2020
a	4.495 ± 0.0006 Å
b	13.8963 ± 0.0016 Å
c	19.758 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1234.2 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P c 21 n
Hall space group symbol	P -2n -2ac
Residual factor for all reflections	0.1239
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2399
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
249870 (current)	2020-04-01	cif/ Adding structures of 4517535 via cif-deposit CGI script.	4517535.cif