Information card for entry 2011065

Structure parameters

• Formula: C20 H14 N4
• Calculated formula: C20 H14 N4
• SMILES: n1c2c(cccc2)[nH]c1c1ccc(c2nc3c(cccc3)[nH]2)cc1
• Title of publication: 1,4-Bis(2-benzimidazolyl)benzene
• Authors of publication: Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 718 - 719
• a: 10.24 ± 0.0003 Å
• b: 9.7505 ± 0.0002 Å
• c: 15.031 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1500.77 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No