Crystallography Open Database

Information card for entry 2311737

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Coordinates	2311737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 F6 N2
Calculated formula	C15 H10 F6 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	11.2082 ± 0.0004 Å
b	16.2891 ± 0.0005 Å
c	15.2689 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2787.67 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1212
Weighted residual factors for all reflections included in the refinement	0.1325
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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