Crystallography Open Database

Information card for entry 7219289

7219288 << 7219289 >> 7219290

Preview

Coordinates	7219289.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1,2-Bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-yl)-bis-dimethylsilanyl-methane
Chemical name	I2-4-EDOT
Formula	C18 H24 I2 O4 S2 Si2
Calculated formula	C18 H24 I2 O4 S2 Si2
SMILES	Ic1sc([Si](C)(C)CC[Si](C)(C)c2sc(I)c3OCCOc23)c2OCCOc12
Title of publication	Effect of Flexible Linker Length in 3,4-Ethylenedioxythiophene Derivatives for Solid State Polymerization
Authors of publication	Xia, Jiangbin; Tusy, Chuong; Peng, Kai; Huang, Lili
Journal of publication	RSC Adv.
Year of publication	2015
a	17.5004 ± 0.0007 Å
b	7.2281 ± 0.0003 Å
c	19.8464 ± 0.0008 Å
α	90°
β	96.182 ± 0.001°
γ	90°
Cell volume	2495.86 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219289.cif
129582	2015-01-13	cif/ Adding structures of 7219286, 7219287, 7219288, 7219289 via cif-deposit CGI script.	7219289.cif