Information card for entry 2230120

Structure parameters

• Chemical name: 1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone
• Formula: C25 H26 N2 Se
• Calculated formula: C25 H26 N2 Se
• SMILES: c1ccccc1CCCN1C(=[Se])N(CCCc2ccccc2)c2c1cccc2
• Title of publication: 1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone
• Authors of publication: Akkurt, Mehmet; Yılmaz, Ülkü; Küçükbay, Hasan; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1179
• a: 10.515 ± 0.0003 Å
• b: 10.515 ± 0.0003 Å
• c: 19.8142 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2190.76 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes