Crystallography Open Database

Information card for entry 4111441

Preview

Coordinates	4111441.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bridged-LOPVs 13mer
Formula	C138 H136 Si4
Calculated formula	C138 H136 Si4
Title of publication	Ladder Oligo(p-phenylenevinylene)s with Silicon and Carbon Bridges
Authors of publication	Chaihong Xu; Atsushi Wakamiya; Shigehiro Yamaguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	1638 - 1639
a	10.488 ± 0.002 Å
b	23.117 ± 0.005 Å
c	23.601 ± 0.005 Å
α	90 ± 0.0011°
β	91.0748 ± 0.0011°
γ	90 ± 0.0011°
Cell volume	5721 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.1052
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2204
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178885 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/14.	4111441.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111441.cif
63040	2012-07-13	cif/ Adding structures of 4111441 via cif-deposit CGI script.	4111441.cif