Crystallography Open Database

Information card for entry 7240218

Preview

Coordinates	7240218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H40 O2 S6
Calculated formula	C42 H40 O2 S6
Title of publication	New fused conjugated molecules with fused thiophene and pyran units for organic electronic materials
Authors of publication	Chen, Daoliang; Zhu, Danlei; Lin, Gaobo; Du, Mingxu; Shi, Dandan; Peng, Qian; Jiang, Lang; Liu, Zitong; Zhang, Guanxin; Zhang, Deqing
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	21
Pages of publication	12378 - 12383
a	8.16 ± 0.0003 Å
b	8.4682 ± 0.0004 Å
c	13.9854 ± 0.0005 Å
α	87.738 ± 0.003°
β	87.241 ± 0.003°
γ	71.942 ± 0.004°
Cell volume	917.42 ± 0.07 Å³
Cell temperature	170 ± 0.12 K
Ambient diffraction temperature	170 ± 0.12 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	0.0992
Residual factor for significantly intense reflections	0.0897
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.2565
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258115 (current)	2020-10-06	cif/ Updating files of 7240217, 7240218 Original log message: Adding full bibliography for 7240217--7240218.cif.	7240218.cif
249782	2020-03-27	cif/ Adding structures of 7240217, 7240218 via cif-deposit CGI script.	7240218.cif