Information card for entry 4504081

Structure parameters

• Formula: C38 H38 N8 O6
• Calculated formula: C38 H38 N8 O6
• SMILES: c1(c(cc(cc1Cn1ccnc1)C)Cn1cncc1)O.OC(=O)c1ccc(cc1)C(=O)O.c1(c(cc(cc1Cn1cncc1)C)Cn1cncc1)O
• Title of publication: Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions
• Authors of publication: Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 741
• a: 19.704 ± 0.007 Å
• b: 7.299 ± 0.002 Å
• c: 25.698 ± 0.007 Å
• α: 90°
• β: 108.3 ± 0.03°
• γ: 90°
• Cell volume: 3509 ± 1.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Hall space group symbol: -A 2ya
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No