Crystallography Open Database

Information card for entry 7129183

Preview

Coordinates	7129183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 F N O4 S
Calculated formula	C20 H16 F N O4 S
Title of publication	Cu/Base Co-catalyzed [3 + 3] Cycloaddition for the Synthesis of Highly Functionalized 4-Fluoropyridines
Authors of publication	Dong, Jinhuan; Feng, Wanzhong; Wang, Lei; Li, Mei; Chen, Zhe; Xu, Xianxiu
Journal of publication	Chemical Communications
Year of publication	2021
a	6.0579 ± 0.0002 Å
b	15.5439 ± 0.0005 Å
c	9.8183 ± 0.0003 Å
α	90°
β	92.62 ± 0.003°
γ	90°
Cell volume	923.56 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0365
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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

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