Information card for entry 2217384

Structure parameters

• Chemical name: 1,1'-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1H-benzimidazole) pentahydrate
• Formula: C23 H36 N4 O6
• Calculated formula: C23 H36 N4 O6
• SMILES: c1c2c(ccc1)n(c(C)n2)CCCC(=O)CCCn1c2c(cccc2)nc1C.O.O.O.O.O
• Title of publication: 1,1'-(4-Oxoheptane-1,7-diyl)bis(2-methyl-1<i>H</i>-benzimidazole) pentahydrate
• Authors of publication: Lai-Ping Zhang; Ying-Ying Liu; Zhi-Fang Jia; Guo-Hua Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o143 - o143
• a: 8.814 ± 0.005 Å
• b: 25.664 ± 0.013 Å
• c: 11.635 ± 0.006 Å
• α: 90°
• β: 109.06 ± 0.01°
• γ: 90°
• Cell volume: 2488 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2167
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes