Crystallography Open Database

Information card for entry 7219287

7219286 << 7219287 >> 7219288

Preview

Coordinates	7219287.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Butyl-bis-(7-iodo-2,3-dihydro-thieno[3,4-b][1,4]dioxin-5-ylmethyl)-amine
Chemical name	I2-3-alkyl-EDOT
Formula	C18 H21 I2 N O4 S2
Calculated formula	C18 H21 I2 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	23.3143 ± 0.0014 Å
b	23.3143 ± 0.0014 Å
c	8.1165 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4411.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7219287.cif
129582	2015-01-13	cif/ Adding structures of 7219286, 7219287, 7219288, 7219289 via cif-deposit CGI script.	7219287.cif