Crystallography Open Database

Information card for entry 7108927

Preview

Coordinates	7108927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 Br2 F4 O2
Calculated formula	C18 H10 Br2 F4 O2
SMILES	Brc1ccc(OC23C(F)(F)C(C(=C2)Oc2ccc(Br)cc2)C3(F)F)cc1
Title of publication	Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers
Authors of publication	Poh Wai Chia; Davide Bello; Alexandra M. Z. Slawin; David O'Hagan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2013
Journal volume	49
Journal issue	22
Pages of publication	2189 - 2191
a	10.8993 ± 0.0014 Å
b	12.8061 ± 0.0017 Å
c	13.1597 ± 0.0017 Å
α	75.917 ± 0.007°
β	71.005 ± 0.008°
γ	89.973 ± 0.006°
Cell volume	1678.4 ± 0.4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.3703
Goodness-of-fit parameter for all reflections included in the refinement	1.31
Diffraction radiation wavelength	0.71075 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/7108927.html