Crystallography Open Database

Information card for entry 4109373

Preview

Coordinates	4109373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 S4 Si2
Calculated formula	C24 H30 S4 Si2
Title of publication	Organoborane Acceptor-Substituted Polythiophene via Side-Group Borylation
Authors of publication	Haiyan Li; Anand Sundararaman; Krishnan Venkatasubbaiah; Frieder Jäkle
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5792 - 5793
a	6.7152 ± 0.0003 Å
b	15.2227 ± 0.0007 Å
c	19.6615 ± 0.0009 Å
α	89.651 ± 0.002°
β	88.84 ± 0.002°
γ	79.481 ± 0.002°
Cell volume	1975.68 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0714
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178839 (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 4/10/93.	4109373.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109373.cif
58139	2012-05-25	cif/ Adding structures of 4109373 via cif-deposit CGI script.	4109373.cif