Crystallography Open Database

Information card for entry 2019385

2019384 << 2019385 >> 2019386

Preview

Coordinates	2019385.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,5-Bis(2,6-difluorophenyl)penta-1,4-dien-3-one
Formula	C17 H10 F4 O
Calculated formula	C17 H10 F4 O
SMILES	O=C(/C=C/c1c(F)cccc1F)/C=C/c1c(F)cccc1F
Title of publication	Photochemical dimerization of a fluorinated dibenzylideneacetone in chloroform solution
Authors of publication	Schwarzer, Anke; Weber, Edwin
Journal of publication	Acta Crystallographica Section C
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	202 - 206
a	7.4793 ± 0.0006 Å
b	15.641 ± 0.0013 Å
c	12.0962 ± 0.0011 Å
α	90°
β	104.831 ± 0.005°
γ	90°
Cell volume	1367.9 ± 0.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	2019385.cif
104737	2014-03-11	cif/ hkl/ Adding structures of 2019385, 2019386 via cif-deposit CGI script.	2019385.cif