Crystallography Open Database

Information card for entry 7216701

Preview

Coordinates	7216701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H8 F20
Calculated formula	C23 H8 F20
SMILES	FC(F)(c1c2c(cccc2)c(c2ccccc12)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)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	28.388 ± 0.009 Å
b	5.7555 ± 0.0015 Å
c	14.35 ± 0.005 Å
α	90°
β	76.509 ± 0.005°
γ	90°
Cell volume	2279.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0914
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
180498 (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 7/21/67.	7216701.cif
117922	2014-06-20	cif/ Adding structures of 7216696, 7216697, 7216698, 7216699, 7216700, 7216701 via cif-deposit CGI script.	7216701.cif