Crystallography Open Database

Information card for entry 1547253

Preview

Coordinates	1547253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H32 Br2 N4
Calculated formula	C36 H32 Br2 N4
SMILES	[Br-].[Br-].n1(Cc2ccccc2)c[n+](c2ccccc12)Cc1cccc(c1)Cn1c[n+](c2ccccc12)Cc1ccccc1
Title of publication	Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against human colon cancer
Authors of publication	Rosenani A Haque; Muhammad Adnan Iqbal; Mohamed B Khadeer Ahamed; AMS Abdul Majid; Zena A Abdul Hameed
Journal of publication	Chemistry Central Journal
Year of publication	2012
Journal volume	6
Pages of publication	68
a	11.0707 ± 0.0003 Å
b	11.3028 ± 0.0003 Å
c	14.8929 ± 0.0003 Å
α	84.963 ± 0.001°
β	75.975 ± 0.001°
γ	87.924 ± 0.001°
Cell volume	1800.8 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
201072 (current)	2017-09-20	cif/ Adding structures of 1547253 via cif-deposit CGI script.	1547253.cif