Crystallography Open Database

Information card for entry 7219286

7219285 << 7219286 >> 7219287

Preview

Coordinates	7219286.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-methyl-amine
Chemical name	Br2-3-EDOT
Formula	C15 H15 Br2 N O4 S2
Calculated formula	C15 H15 Br2 N O4 S2
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	7.7337 ± 0.0005 Å
b	10.1482 ± 0.0007 Å
c	11.8659 ± 0.0008 Å
α	84.846 ± 0.002°
β	71.451 ± 0.002°
γ	77.611 ± 0.002°
Cell volume	862.1 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7219286.cif
129582	2015-01-13	cif/ Adding structures of 7219286, 7219287, 7219288, 7219289 via cif-deposit CGI script.	7219286.cif