Information card for entry 2212389

Structure parameters

• Chemical name: 1,1'-Butane-1,4-diylbis(1H-benzimidazole)
• Formula: C18 H18 N4
• Calculated formula: C18 H18 N4
• SMILES: c1ccc2c(c1)n(CCCCn1cnc3c1cccc3)cn2
• Title of publication: 1,1'-Butane-1,4-diylbis(1<i>H</i>-benzimidazole)
• Authors of publication: Mehmet Akkurt; Selvi Karaca; Hasan Küçükbay; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1065 - o1066
• a: 5.6495 ± 0.0004 Å
• b: 10.6323 ± 0.0007 Å
• c: 12.7814 ± 0.0009 Å
• α: 90°
• β: 99.042 ± 0.006°
• γ: 90°
• Cell volume: 758.2 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes