Crystallography Open Database

Information card for entry 7218742

Preview

Coordinates	7218742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H4 S12
Calculated formula	C14 H4 S12
SMILES	C1=CSC2=C(S1)SC(=C1SC3SC(=C4SC5=C(SC=CS5)S4)SC=3S1)S2
Title of publication	Full-capped 12-S-atom TTP derivatives (BV-TTP, BE-TTP, EM-TTP and EV-TTP): syntheses, structures and charge transport properties
Authors of publication	Fang, Qi; Chen, Hong-feng; Lei, Hong; Xue, Gang; Chen, Xia
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	787
a	6.2212 ± 0.0003 Å
b	6.4416 ± 0.0003 Å
c	12.32 ± 0.0006 Å
α	96.924 ± 0.004°
β	103.818 ± 0.004°
γ	97.07 ± 0.004°
Cell volume	469.99 ± 0.04 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
180518 (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 7/21/87.	7218742.cif
133133	2015-03-06	cif/ Updating files of 7218742, 7218743, 7218744, 7218745, 7218746 Original log message: Adding full bibliography for 7218742--7218746.cif.	7218742.cif
127061	2014-11-12	cif/ Adding structures of 7218742, 7218743, 7218744, 7218745, 7218746 via cif-deposit CGI script.	7218742.cif