Crystallography Open Database

Information card for entry 2009451

2009450 << 2009451 >> 2009452

Preview

Coordinates	2009451.cif
Original IUCr paper	HTML

Structure parameters

Formula	C13 H8 F2 O
Calculated formula	C13 H8 F2 O
SMILES	O=C(c1ccc(cc1)F)c1ccc(cc1)F
Title of publication	4,4'-Difluorobenzophenone
Authors of publication	Maginn, S.J.; Davey, R.J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	2
Pages of publication	254 - 255
a	23.184 ± 0.007 Å
b	6.17 ± 0.01 Å
c	7.409 ± 0.009 Å
α	90°
β	79.868 ± 0.009°
γ	90°
Cell volume	1043 ± 2 Å³
Cell temperature	295 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0465
Goodness-of-fit parameter for significantly intense reflections	0.74
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2009451.html