Crystallography Open Database

Information card for entry 1505114

Preview

Coordinates	1505114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H6 F10
Calculated formula	C18 H6 F10
SMILES	Fc1c(/C=C/C=C/C=C/c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)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	5.9392 ± 0.0013 Å
b	8.1021 ± 0.0018 Å
c	8.5594 ± 0.0019 Å
α	80.335 ± 0.003°
β	78.54 ± 0.004°
γ	73.542 ± 0.004°
Cell volume	384.39 ± 0.15 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	0.0462
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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.	1505114.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505114.cif
45354	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505114 via cif-deposit CGI script.	1505114.cif