Crystallography Open Database

Information card for entry 7061005

Preview

Coordinates	7061005.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	phenyl(4-(2,4,5-triphenyl-1H-imidazol-1-yl)phenyl)methanone
Formula	C34 H24 N2 O
Calculated formula	C34 H24 N2 O
SMILES	O=C(c1ccc(n2c(nc(c2c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1
Title of publication	Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety
Authors of publication	Grybauskaitė-Kaminskienė, Gintarė; Dudkaitė, Vygailė; Bagdžiūnas, Gintautas
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	42
Pages of publication	19746 - 19754
a	9.37 ± 0.02 Å
b	21.01 ± 0.04 Å
c	13.22 ± 0.03 Å
α	90°
β	102.98 ± 0.03°
γ	90°
Cell volume	2536 ± 9 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.2388
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270470 (current)	2021-11-06	cif/ Updating files of 7061005, 7061006 Original log message: Adding full bibliography for 7061005--7061006.cif.	7061005.cif
269894	2021-10-12	cif/ Adding structures of 7061005, 7061006 via cif-deposit CGI script.	7061005.cif