Crystallography Open Database

Information card for entry 1514771

Preview

Coordinates	1514771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 F6 N4 O8 S2
Calculated formula	C44 H30 F6 N4 O6 S2
Title of publication	Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core
Authors of publication	Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	8
Pages of publication	3288
a	11.445 ± 0.002 Å
b	12.104 ± 0.002 Å
c	17.978 ± 0.004 Å
α	77.35 ± 0.03°
β	76.4 ± 0.03°
γ	65.63 ± 0.03°
Cell volume	2184 ± 0.9 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1603
Residual factor for significantly intense reflections	0.1054
Weighted residual factors for significantly intense reflections	0.2949
Weighted residual factors for all reflections included in the refinement	0.3367
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514771.cif
110257	2014-04-18	cif/ Adding structures of 1514771, 1514772 via cif-deposit CGI script.	1514771.cif