Crystallography Open Database

Information card for entry 1505113

Preview

Coordinates	1505113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 F6
Calculated formula	C18 H10 F6
SMILES	Fc1cc(F)cc(c1/C=C/C=C/C=C/c1c(F)cc(cc1F)F)F
Title of publication	Fluorinated diphenylpolyenes: crystal structures and emission properties.
Authors of publication	Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Journal of publication	The journal of physical chemistry. A
Year of publication	2007
Journal volume	111
Journal issue	51
Pages of publication	13441 - 13451
a	6.9822 ± 0.0008 Å
b	7.2167 ± 0.0009 Å
c	7.3338 ± 0.0009 Å
α	88.901 ± 0.002°
β	79.877 ± 0.002°
γ	77.54 ± 0.002°
Cell volume	355.15 ± 0.07 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 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 all reflections	0.0497
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505113.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505113.cif
45353	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505113 via cif-deposit CGI script.	1505113.cif