Crystallography Open Database

Information card for entry 7237325

Preview

Coordinates	7237325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H32 N2 S
Calculated formula	C50 H32 N2 S
Title of publication	Sulfur-bridged tetraphenylethylene AIEgens for deep-blue organic light-emitting diodes
Authors of publication	Cai, Yuanjing; Shi, Changsheng; Zhang, Han; Chen, Bin; Samedov, Kerim; Chen, Ming; Wang, Zhiming; Zhao, Zujin; Gu, Xinggui; Ma, Dongge; Qin, Anjun; Tang, Ben Zhong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	24
Pages of publication	6534
a	10.2848 ± 0.0006 Å
b	9.012 ± 0.0005 Å
c	19.3052 ± 0.0011 Å
α	90°
β	91.856 ± 0.005°
γ	90°
Cell volume	1788.39 ± 0.18 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0683
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
237595 (current)	2019-11-24	cif/ Adding structures of 7237323, 7237324, 7237325 via cif-deposit CGI script.	7237325.cif