Information card for entry 1547254

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 ų
• 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 Fobs: No