Crystallography Open Database

Information card for entry 8105681

Preview

Coordinates	8105681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 N4
Calculated formula	C40 H26 N4
SMILES	N1C(N=C2C=1c1cccc3cccc2c13)(n1c(nc2c1c1cccc3cccc2c13)c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Crystal structure of 8,8′-di-p-tolyl-8′H-7,8′-biacenaphtho[1,2-d]imidazole, C40H26N4
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	457 - 459
a	9.5201 ± 0.0006 Å
b	12.1701 ± 0.0008 Å
c	12.8721 ± 0.0007 Å
α	79.949 ± 0.005°
β	88.35 ± 0.005°
γ	75.893 ± 0.006°
Cell volume	1424.05 ± 0.16 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0835
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1403
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
276757 (current)	2022-07-11	cif/ Adding structures of 8105681 via cif-deposit CGI script.	8105681.cif