Crystallography Open Database

Information card for entry 7235391

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Coordinates	7235391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H12 F3 N8
Calculated formula	C13 H8 F3 N9
Title of publication	Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives
Authors of publication	Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2014
Journal volume	2
Journal issue	21
Pages of publication	7917
a	13.224 ± 0.0008 Å
b	10.7927 ± 0.0007 Å
c	20.8619 ± 0.001 Å
α	90°
β	93.504 ± 0.005°
γ	90°
Cell volume	2971.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0892
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1654
Weighted residual factors for all reflections included in the refinement	0.2066
Goodness-of-fit parameter for all reflections included in the refinement	0.814
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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