Crystallography Open Database

Information card for entry 7236043

Preview

Coordinates	7236043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H13 F3 N4 O
Calculated formula	C17 H13 F3 N4 O
Title of publication	Synthesis of 4-arylamino-3-(trifluoromethyl)pyridazines and pyridazino[3,4-b]quinoxalines (as by-products) from 3-aroylmethyl-2-(trifluoromethyl)quinoxalines and hydrazine hydrate
Authors of publication	Sosnovskikh, Vyacheslav Y.; Safrygin, Alexander V.; Irgashev, Roman A.; Ezhikova, Marina A.; Kodess, Mikhail I.
Journal of publication	RSC Advances
Year of publication	2016
Journal volume	6
Journal issue	36
Pages of publication	30056
a	14.1362 ± 0.0007 Å
b	14.3909 ± 0.0005 Å
c	18.0057 ± 0.0008 Å
α	66.933 ± 0.004°
β	67.968 ± 0.004°
γ	89.57 ± 0.003°
Cell volume	3081.9 ± 0.3 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 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	0.081
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233861 (current)	2019-11-23	cif/ Adding structures of 7236043, 7236044 via cif-deposit CGI script.	7236043.cif