Crystallography Open Database

Information card for entry 2311734

Preview

Coordinates	2311734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H11 F3 N2
Calculated formula	C14 H11 F3 N2
SMILES	FC(F)(F)c1cc(/C=N/Nc2ccccc2)ccc1
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	11.5823 ± 0.0006 Å
b	13.8757 ± 0.0007 Å
c	7.4479 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1196.97 ± 0.1 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	0.0455
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	2311734.cif