Crystallography Open Database

Information card for entry 7240776

Preview

Coordinates	7240776.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H22 N2 S3
Calculated formula	C38 H22 N2 S3
SMILES	s1c(ccc1c1sc(cc1)c1ccc(cc1)c1ccc(cc1)C#N)c1sc(cc1)c1ccc(cc1)c1ccc(cc1)C#N
Title of publication	Synthesis and characterization of methoxy- or cyano-substituted thiophene/phenylene co-oligomers for lasing application
Authors of publication	Matsuo, Takumi; Rössiger, Carina; Herr, Jasmin; Göttlich, Richard; Schlettwein, Derck; Mizuno, Hitoshi; Sasaki, Fumio; Yanagi, Hisao
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	40
Pages of publication	24057 - 24062
a	9.486 ± 0.004 Å
b	14.918 ± 0.006 Å
c	19.581 ± 0.009 Å
α	82.727 ± 0.008°
β	87.506 ± 0.008°
γ	89.924 ± 0.007°
Cell volume	2746 ± 2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.207
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.2189
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258083 (current)	2020-10-06	cif/ Updating files of 7240775, 7240776 Original log message: Adding full bibliography for 7240775--7240776.cif.	7240776.cif
253393	2020-06-24	cif/ Adding structures of 7240775, 7240776 via cif-deposit CGI script.	7240776.cif