Crystallography Open Database

Information card for entry 2311735

Preview

Coordinates	2311735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 F6 N2
Calculated formula	C15 H10 F6 N2
SMILES	FC(F)(F)c1ccc(/C=N/Nc2ccccc2C(F)(F)F)cc1
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	8.2523 ± 0.0003 Å
b	8.3039 ± 0.0004 Å
c	11.793 ± 0.0005 Å
α	82.823 ± 0.002°
β	74.769 ± 0.002°
γ	61.428 ± 0.002°
Cell volume	684.78 ± 0.05 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	0.04
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246096 (current)	2019-12-26	cif/ Adding structures of 2311731, 2311732, 2311733, 2311734, 2311735, 2311736, 2311737 via cif-deposit CGI script.	2311735.cif