Crystallography Open Database

Information card for entry 7216696

Preview

Coordinates	7216696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 F6
Calculated formula	C24 H12 F6
SMILES	FC(F)(F)c1c2cc(C#Cc3ccccc3)ccc2c(c2c1cccc2)C(F)(F)F
Title of publication	Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives
Authors of publication	Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	19
Pages of publication	6803 - 6806
a	9.624 ± 0.003 Å
b	9.777 ± 0.003 Å
c	10.267 ± 0.003 Å
α	89.282 ± 0.007°
β	73.95 ± 0.006°
γ	86.894 ± 0.006°
Cell volume	927 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180497 (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 7/21/66.	7216696.cif
117922	2014-06-20	cif/ Adding structures of 7216696, 7216697, 7216698, 7216699, 7216700, 7216701 via cif-deposit CGI script.	7216696.cif