Crystallography Open Database

Information card for entry 1532508

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Structure parameters

Formula	C16 H10 S6
Calculated formula	C16 H10 S6
SMILES	s1c(c2ccccc2)c2SSSSSc2c1c1ccccc1
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	24.2039 ± 0.0011 Å
b	6.2548 ± 0.0003 Å
c	22.525 ± 0.0009 Å
α	90°
β	103.733 ± 0.004°
γ	90°
Cell volume	3312.6 ± 0.3 Å³
Cell temperature	102.26 ± 0.1 K
Ambient diffraction temperature	102.26 ± 0.1 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
301778 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure.	1532508.cif
171372	2015-12-09	cif/ Updating files of 1532507, 1532508, 1532509, 1532510 Original log message: Adding full bibliography for 1532507--1532510.cif.	1532508.cif
158419	2015-09-26	cif/ Adding structures of 1532507, 1532508, 1532509, 1532510 via cif-deposit CGI script.	1532508.cif