Crystallography Open Database

Information card for entry 7060720

Preview

Coordinates	7060720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 O2 S2 Si2
Calculated formula	C30 H38 O2 S2 Si2
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	22.03 ± 0.0017 Å
b	7.548 ± 0.0006 Å
c	20.8392 ± 0.0016 Å
α	90°
β	121.727 ± 0.001°
γ	90°
Cell volume	2947.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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.	7060720.cif
266386	2021-06-11	cif/ Adding structures of 7060719, 7060720 via cif-deposit CGI script.	7060720.cif