Crystallography Open Database

Information card for entry 1532460

Preview

Coordinates	1532460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 S3
Calculated formula	C24 H24 S3
SMILES	s1ccc2c1c1sc3c4sccc4c(cc3c1cc2CCCC)CCCC
Title of publication	Synthesis and Properties of Ethene-Bridged Terthiophenes.
Authors of publication	Mitsudo, Koichi; Sato, Hidehiko; Yamasaki, Arata; Kamimoto, Natsuyo; Goto, Jun; Mandai, Hiroki; Suga, Seiji
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	19
Pages of publication	4858 - 4861
a	11.959 ± 0.011 Å
b	22.114 ± 0.019 Å
c	7.632 ± 0.006 Å
α	90°
β	97.436 ± 0.014°
γ	90°
Cell volume	2001 ± 3 Å³
Cell temperature	100.15 K
Ambient diffraction temperature	100.15 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	0.0687
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.162
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
160564 (current)	2015-10-06	cif/ Updating files of 1532457, 1532458, 1532459, 1532460, 1532461 Original log message: Adding full bibliography for 1532457--1532461.cif.	1532460.cif
158184	2015-09-20	cif/ Adding structures of 1532460 via cif-deposit CGI script.	1532460.cif