Crystallography Open Database

Information card for entry 2023045

2023044 << 2023045 >> 2023046

Preview

Coordinates	2023045.cif
Original IUCr paper	HTML

Structure parameters

Common name	13203z
Chemical name	1-{4-[Bis(4-methylphenyl)amino]phenyl}ethene-1,2,2-tricarbonitrile
Formula	C25 H18 N4
Calculated formula	C25 H18 N4
Title of publication	Crystal structure of 1-{4-[bis-(4-methyl-phen-yl)amino]-phen-yl}ethene-1,2,2-tricarbo-nitrile.
Authors of publication	Bader, Mamoun M.; Pham, Phuong-Truc
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 3
Pages of publication	339 - 342
a	16.8662 ± 0.0015 Å
b	12.8555 ± 0.0011 Å
c	18.7561 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4066.8 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0902
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
291122 (current)	2024-04-06	cif/ Updating files of 2023045 Original log message: Adding full bibliography for 2023045.cif.	2023045.cif
290017	2024-03-01	cif/ Adding structures of 2023045 via cif-deposit CGI script.	2023045.cif