Crystallography Open Database

Information card for entry 7129349

Preview

Coordinates	7129349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H19 F3 N2 O3 S
Calculated formula	C34 H19 F3 N2 O3 S
SMILES	S(=O)(=O)([O-])C(F)(F)F.n12c3ccccc3c3cccc4c5ccccc5[n+](c1c34)c1c2c2ccccc2c2ccccc12
Title of publication	Synthesis of cationic π-extended imidazolium salts by sequential Cu-catalyzed arylation/annulation and photocyclization
Authors of publication	Wang, Tianbao; Zheng, Qinze; Wang, Linhua; Huang, Zhenmei; Zhang, Huaxing; Zhang, Yuming; Zhang, Cheng; Gao, Ge
Journal of publication	Chemical Communications
Year of publication	2021
a	9.3567 ± 0.0006 Å
b	10.7079 ± 0.0006 Å
c	14.3234 ± 0.0008 Å
α	81.633 ± 0.005°
β	87.519 ± 0.005°
γ	83.289 ± 0.005°
Cell volume	1409.56 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1117
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.2298
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation probe	x-ray
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
271250 (current)	2021-12-08	cif/ Adding structures of 7129349, 7129350 via cif-deposit CGI script.	7129349.cif