Information card for entry 2215202

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)\ ethane-1,2-diamine methanol tetrasolvate dihydrate
• Formula: C38 H52 N10 O6
• Calculated formula: C38 H52 N10 O6
• SMILES: C(N(Cc1nc2c([nH]1)cccc2)Cc1nc2ccccc2[nH]1)CN(Cc1nc2c(cccc2)[nH]1)Cc1nc2ccccc2[nH]1.O.OC.OC.O.OC.OC
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine methanol tetrasolvate dihydrate
• Authors of publication: Ya-Mei Pei; Xiang-Gao Meng; Chun-Shan Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3762 - o3762
• a: 9.2349 ± 0.0006 Å
• b: 10.429 ± 0.0007 Å
• c: 11.5344 ± 0.0008 Å
• α: 100.5 ± 0.001°
• β: 101.763 ± 0.001°
• γ: 99.417 ± 0.001°
• Cell volume: 1045.83 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes