Crystallography Open Database

Information card for entry 1505115

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Structure parameters

Formula	C18 H11 F5
Calculated formula	C18 H11 F5
SMILES	c1(c(c(c(c(c1/C=C/C=C/C=C/c1ccccc1)F)F)F)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	6.0911 ± 0.0018 Å
b	8.179 ± 0.003 Å
c	14.72 ± 0.005 Å
α	78.667 ± 0.005°
β	87.639 ± 0.005°
γ	83.47 ± 0.006°
Cell volume	714.2 ± 0.4 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	0.1188
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.165
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	1505115.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.	1505115.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505115.cif
45355	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505115 via cif-deposit CGI script.	1505115.cif