Crystallography Open Database

Information card for entry 7242917

Preview

Coordinates	7242917.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, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives
Authors of publication	Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	31
Pages of publication	18870 - 18880
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
265497 (current)	2021-05-26	cif/ Adding structures of 7242916, 7242917 via cif-deposit CGI script.	7242917.cif