Crystallography Open Database

Information card for entry 7218724

Preview

Coordinates	7218724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 F7 N3
Calculated formula	C14 H6 F7 N3
SMILES	Fc1c(N(C)C)c(F)c(F)c2nc3c(F)c(F)c(F)c(F)c3nc12
Title of publication	Effects of the alkyl group in (dialkylamino)perfluorophenazines on the melting point and fluorescence properties
Authors of publication	Biradar, Siddanagouda; Shigemitsu, Yasuhiro; Kubota, Yasuhiro; Funabiki, Kazumasa; Sato, Hiroyasu; Matsui, Masaki
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	103
Pages of publication	59387
a	21.7935 ± 0.0006 Å
b	4.37356 ± 0.00011 Å
c	26.8772 ± 0.0007 Å
α	90°
β	94.408 ± 0.007°
γ	90°
Cell volume	2554.23 ± 0.12 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218724.cif
126659	2014-11-08	cif/ Adding structures of 7218724, 7218725 via cif-deposit CGI script.	7218724.cif