Crystallography Open Database

Information card for entry 1532510

Preview

Coordinates	1532510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 S8
Calculated formula	C12 H6 S8
SMILES	s1cccc1c1sc(c2SSSSSc12)c1sccc1
Title of publication	Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization
Authors of publication	Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S.
Journal of publication	Polym. Chem.
Year of publication	2015
Journal volume	6
Journal issue	44
Pages of publication	7658
a	8.3161 ± 0.0003 Å
b	20.227 ± 0.0007 Å
c	9.2199 ± 0.0004 Å
α	90°
β	92.391 ± 0.004°
γ	90°
Cell volume	1549.53 ± 0.1 Å³
Cell temperature	293.74 ± 0.1 K
Ambient diffraction temperature	293.74 ± 0.1 K
Number of distinct elements	3
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	0.058638
Residual factor for significantly intense reflections	0.051285
Weighted residual factors for all reflections included in the refinement	0.143797
Goodness-of-fit parameter for all reflections included in the refinement	1.03609
Diffraction radiation probe	x-ray
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
171372 (current)	2015-12-09	cif/ Updating files of 1532507, 1532508, 1532509, 1532510 Original log message: Adding full bibliography for 1532507--1532510.cif.	1532510.cif
158419	2015-09-26	cif/ Adding structures of 1532507, 1532508, 1532509, 1532510 via cif-deposit CGI script.	1532510.cif