Crystallography Open Database

Information card for entry 8105683

Preview

Coordinates	8105683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34 N4
Calculated formula	C44 H34 N4
SMILES	n1(c(nc(c1c1ccccc1)c1ccccc1)c1ccc(cc1)C)C1(N=C(C(=N1)c1ccccc1)c1ccccc1)c1ccc(cc1)C
Title of publication	Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
Authors of publication	Al-Dies, Al-Anood M.; Asiri, Abdullah M.; Khan, Salman A.; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	465 - 467
a	10.1233 ± 0.0005 Å
b	12.1414 ± 0.0007 Å
c	13.742 ± 0.0007 Å
α	90°
β	98.389 ± 0.005°
γ	90°
Cell volume	1670.97 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1136
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
276759 (current)	2022-07-11	cif/ Adding structures of 8105683 via cif-deposit CGI script.	8105683.cif