Crystallography Open Database

Information card for entry 1505110

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Structure parameters

Formula	C36 H22 F10
Calculated formula	C36 H22 F10
SMILES	C(=C\C=C\c1ccccc1)/C=C/c1ccccc1.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	6.062 ± 0.0013 Å
b	8.22 ± 0.0018 Å
c	14.48 ± 0.003 Å
α	85.41 ± 0.004°
β	89.54 ± 0.004°
γ	83.89 ± 0.004°
Cell volume	715.1 ± 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	0.0704
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	0.923
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.	1505110.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.	1505110.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505110.cif
45350	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505110 via cif-deposit CGI script.	1505110.cif