Crystallography Open Database

Information card for entry 7234279

Preview

Coordinates	7234279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 F3 N2
Calculated formula	C10 H7 F3 N2
Title of publication	Copper-catalyzed chemoselective synthesis of 4-trifluoromethyl pyrazoles
Authors of publication	Lu, Jiaqing; Man, Yuning; Zhang, Yabin; Lin, Bo; Lin, Qi; Weng, Zhiqiang
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	53
Pages of publication	30952
a	11.351 ± 0.014 Å
b	7.944 ± 0.009 Å
c	10.95 ± 0.013 Å
α	90°
β	104.676 ± 0.018°
γ	90°
Cell volume	955 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1355
Residual factor for significantly intense reflections	0.1115
Weighted residual factors for significantly intense reflections	0.2577
Weighted residual factors for all reflections included in the refinement	0.2952
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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