Crystallography Open Database

Information card for entry 1505111

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Structure parameters

Formula	C18 H14 F2
Calculated formula	C18 H14 F2
SMILES	c1cc(ccc1/C=C/C=C/C=C/c1ccc(cc1)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	9.582 ± 0.004 Å
b	11.523 ± 0.005 Å
c	12.89 ± 0.005 Å
α	85.425 ± 0.008°
β	84.296 ± 0.009°
γ	75.81 ± 0.008°
Cell volume	1370.7 ± 1 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	0.1948
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1642
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505111.cif
176729	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.	1505111.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505111.cif
45351	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505111 via cif-deposit CGI script.	1505111.cif