Crystallography Open Database

Information card for entry 1547254

Preview

Coordinates	1547254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 F12 N4 P2
Calculated formula	C28 H32 F12 N4 P2
SMILES	[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n1(c[n+](CCC)c2c1cccc2)Cc1cccc(c1)Cn1c2ccccc2[n+](c1)CCC
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	16.452 ± 0.0009 Å
b	12.0683 ± 0.0007 Å
c	16.298 ± 0.0009 Å
α	90°
β	103.064 ± 0.001°
γ	90°
Cell volume	3152.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
201073 (current)	2017-09-20	cif/ Adding structures of 1547254 via cif-deposit CGI script.	1547254.cif