Crystallography Open Database

Information card for entry 7226193

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Structure parameters

Formula	C23 H16 N4 S2
Calculated formula	C23 H16 N4 S2
Title of publication	Sigma-spacer Regulated Thiophenyl Triazine Conjugates: Synthesis, Crystal, Electronic and Luminescent Properties
Authors of publication	Zhu, Zhuangli; Shao, Ersha; Xu, Shan; Sun, Huaming; Zhang, Guofang; Xie, Zunyuan; Zhang, Wei-Qiang; Gao, Ziwei
Journal of publication	RSC Adv.
Year of publication	2016
a	11.059 ± 0.0006 Å
b	9.0657 ± 0.0005 Å
c	20.5704 ± 0.0011 Å
α	90°
β	103.8 ± 0.002°
γ	90°
Cell volume	2002.81 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226193.cif
185703	2016-08-09	cif/ Adding structures of 7226192, 7226193, 7226194 via cif-deposit CGI script.	7226193.cif