Crystallography Open Database

Information card for entry 1505112

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Structure parameters

Formula	C18 H12 F4
Calculated formula	C18 H12 F4
SMILES	Fc1ccc(c(c1)F)/C=C/C=C/C=C/c1ccc(cc1F)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	6.752 ± 0.003 Å
b	7.414 ± 0.003 Å
c	7.515 ± 0.003 Å
α	85.677 ± 0.008°
β	73.17 ± 0.008°
γ	79.341 ± 0.007°
Cell volume	353.8 ± 0.3 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	0.0863
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.1844
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1505112.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.	1505112.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505112.cif
45352	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505112 via cif-deposit CGI script.	1505112.cif