Crystallography Open Database

Information card for entry 7233218

Preview

Coordinates	7233218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H8 N2 S4
Calculated formula	C20 H8 N2 S4
SMILES	s1ccc2c1c1nc3c(nc1c1sccc21)c1ccsc1c1sccc31
Title of publication	Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives
Authors of publication	Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	3467 - 3481
a	12.5806 ± 0.0012 Å
b	4.8247 ± 0.0005 Å
c	13.7178 ± 0.0013 Å
α	90°
β	96.563 ± 0.002°
γ	90°
Cell volume	827.18 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.175
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
217170 (current)	2019-07-19	cif/ Adding structures of 7233218 via cif-deposit CGI script.	7233218.cif