Crystallography Open Database

Information card for entry 7060719

Preview

Coordinates	7060719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H66 S2 Si4
Calculated formula	C40 H66 S2 Si4
SMILES	c1(c2cccc(c2c(s1)[Si](C)(C)C(C)(C)C)c1cccc2c(sc(c12)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C
Title of publication	Synthesis, photophysical and electrochemical properties of 1,1′,3,3′-tetrasubstituted-4,4′-bibenzo[c]thiophene derivatives with different substituents on the thiophene rings
Authors of publication	Obayashi, Kotaro; Higashino, Taiki; Imato, Keiichi; Ooyama, Yousuke
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	30
Pages of publication	13258 - 13261
a	7.5572 ± 0.0009 Å
b	13.6372 ± 0.0016 Å
c	22.295 ± 0.003 Å
α	72.523 ± 0.001°
β	89.93 ± 0.001°
γ	81.09 ± 0.001°
Cell volume	2162.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0681
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268882 (current)	2021-09-06	cif/ Updating files of 7060719, 7060720 Original log message: Adding full bibliography for 7060719--7060720.cif.	7060719.cif
266386	2021-06-11	cif/ Adding structures of 7060719, 7060720 via cif-deposit CGI script.	7060719.cif