Crystallography Open Database

Information card for entry 7236876

Preview

Coordinates	7236876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H N O S
Calculated formula	C3.29032 N0.193548 O0.387097 S0.193548
Title of publication	Dithienylbenzodiimide: a new electron-deficient unit for n-type polymer semiconductors
Authors of publication	Chen, Jianhua; Zhang, Xianhe; Wang, Gang; Uddin, Mohammad Afsar; Tang, Yumin; Wang, Yulun; Liao, Qiaogan; Facchetti, Antonio; Marks, Tobin J.; Guo, Xugang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	37
Pages of publication	9559
a	9.639 ± 0.005 Å
b	11.745 ± 0.005 Å
c	22.285 ± 0.008 Å
α	76.86 ± 0.05°
β	81.81 ± 0.03°
γ	88.16 ± 0.04°
Cell volume	2431.8 ± 1.9 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2041
Residual factor for significantly intense reflections	0.1597
Weighted residual factors for significantly intense reflections	0.3872
Weighted residual factors for all reflections included in the refinement	0.4633
Goodness-of-fit parameter for all reflections included in the refinement	1.262
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236594 (current)	2019-11-24	cif/ Adding structures of 7236876 via cif-deposit CGI script.	7236876.cif