Crystallography Open Database

Information card for entry 1553600

Preview

Coordinates	1553600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H28
Calculated formula	C44 H28
SMILES	c1(c2ccccc2)c2c3ccccc3c(c2c(c2c3ccccc3c(c12)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	The synthesis, structure, and properties of 5,6,11,12-tetraarylindeno[1,2-b]fluorenes and their applications as donors for organic photovoltaic devices
Authors of publication	Lo, Yuan-Chih; Ting, Hao-Chun; Li, Ya-Ze; Li, Yi-Hua; Liu, Shun-Wei; Huang, Kuo-Wei; Wong, Ken-Tsung
Journal of publication	Organic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	5
Pages of publication	675
a	7.597 ± 0.0004 Å
b	8.9994 ± 0.0004 Å
c	11.0344 ± 0.0005 Å
α	78.931 ± 0.002°
β	75.805 ± 0.002°
γ	83.409 ± 0.002°
Cell volume	715.94 ± 0.06 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1326
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
235187 (current)	2019-11-23	cif/ Adding structures of 1553598, 1553599, 1553600 via cif-deposit CGI script.	1553600.cif