Crystallography Open Database

Information card for entry 2311731

Preview

Coordinates	2311731.cif
Original IUCr paper	HTML

Structure parameters

Formula	C14 H11 F3 N2
Calculated formula	C14 H11 F3 N2
Title of publication	Quantitative analysis of solid-state diversity in trifluoromethylated phenylhydrazones.
Authors of publication	Dey, Dhananjay; Chopra, Deepak
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	781 - 793
a	9.6399 ± 0.0012 Å
b	10.3142 ± 0.0014 Å
c	13.4202 ± 0.0018 Å
α	99.961 ± 0.004°
β	107.306 ± 0.004°
γ	97.321 ± 0.004°
Cell volume	1231.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0627
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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