Information card for entry 2208825

Structure parameters

• Chemical name: 2,2'-[(Ethylenedioxy)bis(ethyleneoxy)]bis[<i>N</i>-(2-pyridiyl)benzamide]
• Formula: C30 H30 N4 O6
• Calculated formula: C30 H30 N4 O6
• SMILES: n1c(NC(=O)c2c(OCCOCCOCCOc3c(C(=O)Nc4ncccc4)cccc3)cccc2)cccc1
• Title of publication: 2,2'-[(Ethylenedioxy)bis(ethyleneoxy)]bis[<i>N</i>-(2-pyridyl)benzamide]
• Authors of publication: Wang, Wen-Hua; You, Zhong-Lu; Liu, Wei-Sheng; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1768 - o1769
• a: 12.51 ± 0.002 Å
• b: 14.843 ± 0.003 Å
• c: 14.8398 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2755.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes