Crystallography Open Database

Information card for entry 7216698

Preview

Coordinates	7216698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 F6 S2
Calculated formula	C24 H12 F6 S2
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	21.785 ± 0.005 Å
b	5.4006 ± 0.0013 Å
c	16.888 ± 0.004 Å
α	90°
β	104.112 ± 0.004°
γ	90°
Cell volume	1926.9 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1536
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.238
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
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.	7216698.cif
117922	2014-06-20	cif/ Adding structures of 7216696, 7216697, 7216698, 7216699, 7216700, 7216701 via cif-deposit CGI script.	7216698.cif