Crystallography Open Database

Information card for entry 4107898

Preview

Coordinates	4107898.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 I4 N4 O2
Calculated formula	C20 H18 I4 N4 O2
Title of publication	Poly(diiododiacetylene): Preparation, Isolation, and Full Characterization of a Very Simple Poly(diacetylene)
Authors of publication	Liang Luo; Christopher Wilhelm; Aiwu Sun; Clare P. Grey; Joseph W. Lauher; Nancy S. Goroff
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7702 - 7709
a	4.9395 ± 0.0017 Å
b	8.699 ± 0.003 Å
c	15.821 ± 0.006 Å
α	94.874 ± 0.008°
β	97.664 ± 0.006°
γ	98.583 ± 0.007°
Cell volume	662.4 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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 all reflections	0.1288
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	0.864
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
178824 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/78.	4107898.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107898.cif
56223	2012-05-09	cif/ Adding structures of 4107898 via cif-deposit CGI script.	4107898.cif