Information card for entry 1547253

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 ų
• 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 Fobs: No