Information card for entry 2203745

Structure parameters

• Chemical name: N,N,N',N'-Tetrakis[(1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine glycol disolvate
• Formula: C38 H44 N10 O4
• Calculated formula: C38 H44 N10 O4
• SMILES: c1(CN(Cc2nc3ccccc3[nH]2)CCN(Cc2[nH]c3ccccc3n2)Cc2[nH]c3c(n2)cccc3)[nH]c2ccccc2n1.OCCO.OCCO
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis[(1<i>H</i>-benzimidazol-2-yl)methyl]ethane-1,2-diamine glycol disolvate
• Authors of publication: Qin, Shi-Dong; Feng, Si-Si; Zhang, Hong-Mei; Yang, Pin; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1121 - o1122
• a: 9.2367 ± 0.0015 Å
• b: 9.7383 ± 0.0016 Å
• c: 11.5791 ± 0.0019 Å
• α: 85.764 ± 0.003°
• β: 76.748 ± 0.003°
• γ: 66.394 ± 0.003°
• Cell volume: 928.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1002
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1977
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes