Crystallography Open Database

Information card for entry 7243724

Preview

Coordinates	7243724.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-2H,2'H-[1,1'-biacenaphthylenylidene]-2,2'-dione
Formula	C24 H12 O2
Calculated formula	C24 H12 O2
Title of publication	Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors
Authors of publication	Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	47
Pages of publication	8255 - 8259
a	3.8029 ± 0.0003 Å
b	13.8237 ± 0.001 Å
c	14.1694 ± 0.001 Å
α	90°
β	94.395 ± 0.005°
γ	90°
Cell volume	742.7 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
271832 (current)	2022-01-06	cif/ Updating files of 7243723, 7243724, 7243725 Original log message: Adding full bibliography for 7243723--7243725.cif.	7243724.cif
269891	2021-10-12	cif/ Adding structures of 7243723, 7243724, 7243725 via cif-deposit CGI script.	7243724.cif