Crystallography Open Database

Information card for entry 7111218

Preview

Coordinates	7111218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 I4 O4
Calculated formula	C16 H14 I4 O4
SMILES	c1(c(cc(c(c1I)OC)OC)I)c1c(cc(c(c1I)OC)OC)I
Title of publication	Dehydrodimerization of iodobenzenes to iodinated biaryls
Authors of publication	Waldvogel, Siegfried R.; Aits, Eckhard; Holst, Christiane; Fröhlich, Roland
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	12
Pages of publication	1278
a	18.54 ± 0.001 Å
b	8.482 ± 0.001 Å
c	14.637 ± 0.001 Å
α	90°
β	115.31 ± 0.01°
γ	90°
Cell volume	2080.8 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
180226 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12.	7111218.cif
96361	2014-01-29	cif/ Adding structures of 7111218 via cif-deposit CGI script.	7111218.cif