Crystallography Open Database

Information card for entry 1543880

Preview

Coordinates	1543880.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4FI-2
Chemical name	BP4VA FI-2
Formula	C40 H20 F6 I6 N2
Calculated formula	C40 H20 F6 I6 N2
SMILES	Ic1c(F)c(I)c(F)c(I)c1F.Ic1c(F)c(I)c(F)c(I)c1F.n1ccc(/C=C/c2c3ccccc3c(c3c2cccc3)/C=C/c2ccncc2)cc1
Title of publication	Construction and function of a highly efficient supramolecular luminescent system.
Authors of publication	Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing
Journal of publication	Faraday discussions
Year of publication	2017
Journal volume	196
Pages of publication	219 - 229
a	5.142 ± 0.001 Å
b	12.724 ± 0.003 Å
c	16.436 ± 0.003 Å
α	109.15 ± 0.03°
β	96 ± 0.03°
γ	93.79 ± 0.03°
Cell volume	1004.5 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
193855 (current)	2017-03-05	cif/ Updating files of 1543879, 1543880 Original log message: Adding full bibliography for 1543879--1543880.cif.	1543880.cif
185725	2016-08-10	cif/ Adding structures of 1543879, 1543880 via cif-deposit CGI script.	1543880.cif