Crystallography Open Database

Information card for entry 7122504

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Structure parameters

Formula	C20 H12 F7 N3
Calculated formula	C20 H12 F7 N3
Title of publication	Polycyclic heteroaromatic ring construction driven by silver/cobalt co-catalyzed desulfonylative and defluorinative fragment-recombination of enol nonaflates with amidines.
Authors of publication	Xie, Ting; Zhang, Yao-Wei; Liu, Li-Li; Shen, Zhi-Liang; Loh, Teck-Peng; Chu, Xue-Qiang
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	90
Pages of publication	12722 - 12725
a	8.5757 ± 0.0007 Å
b	10.724 ± 0.0009 Å
c	11.5979 ± 0.0007 Å
α	64.62 ± 0.007°
β	77.985 ± 0.007°
γ	71.245 ± 0.007°
Cell volume	909.41 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0896
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2441
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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